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The dataset generation failed
Error code: DatasetGenerationError
Exception: TypeError
Message: Couldn't cast array of type string to null
Traceback: Traceback (most recent call last):
File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1816, in _prepare_split_single
for key, table in generator:
^^^^^^^^^
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 613, in wrapped
for item in generator(*args, **kwargs):
~~~~~~~~~^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.14/site-packages/datasets/packaged_modules/json/json.py", line 343, in _generate_tables
self._cast_table(pa_table, json_field_paths=json_field_paths),
~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.14/site-packages/datasets/packaged_modules/json/json.py", line 132, in _cast_table
pa_table = table_cast(pa_table, self.info.features.arrow_schema)
File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2369, in table_cast
return cast_table_to_schema(table, schema)
File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2303, in cast_table_to_schema
cast_array_to_feature(
~~~~~~~~~~~~~~~~~~~~~^
table[name] if name in table_column_names else pa.array([None] * len(table), type=schema.field(name).type),
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
feature,
^^^^^^^^
)
^
File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 1852, in wrapper
return pa.chunked_array([func(chunk, *args, **kwargs) for chunk in array.chunks])
~~~~^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2143, in cast_array_to_feature
return array_cast(
array,
...<2 lines>...
allow_decimal_to_str=allow_decimal_to_str,
)
File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 1854, in wrapper
return func(array, *args, **kwargs)
File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2005, in array_cast
raise TypeError(f"Couldn't cast array of type {_short_str(array.type)} to {_short_str(pa_type)}")
TypeError: Couldn't cast array of type string to null
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1369, in compute_config_parquet_and_info_response
parquet_operations, partial, estimated_dataset_info = stream_convert_to_parquet(
~~~~~~~~~~~~~~~~~~~~~~~~~^
builder, max_dataset_size_bytes=max_dataset_size_bytes
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
)
^
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 948, in stream_convert_to_parquet
builder._prepare_split(split_generator=splits_generators[split], file_format="parquet")
~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1683, in _prepare_split
for job_id, done, content in self._prepare_split_single(
~~~~~~~~~~~~~~~~~~~~~~~~~~^
gen_kwargs=gen_kwargs, job_id=job_id, **_prepare_split_args
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
):
^
File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1869, in _prepare_split_single
raise DatasetGenerationError("An error occurred while generating the dataset") from e
datasets.exceptions.DatasetGenerationError: An error occurred while generating the datasetNeed help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.
sample_id string | input string | output string | raw_input string | raw_output string | split string | task string | input_core_tag_left string | input_core_tag_right string | output_core_tag_left string | output_core_tag_right string | target null |
|---|---|---|---|---|---|---|---|---|---|---|---|
forward_synthesis.train.670487.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> BrCC1=CC=CC=C1.CC(C)=O.O=C([O-])[O-].O=[N+]([O-])C1=CC(Cl)=C(O)C(Cl)=C1.[K+] </SMILES> . | <SMILES> O=[N+]([O-])C1=CC(Cl)=C(OCC2=CC=CC=C2)C(Cl)=C1 </SMILES> | BrCC1=CC=CC=C1.CC(C)=O.O=C([O-])[O-].O=[N+]([O-])C1=CC(Cl)=C(O)C(Cl)=C1.[K+] | O=[N+]([O-])C1=CC(Cl)=C(OCC2=CC=CC=C2)C(Cl)=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.116739.None | <SMILES> BrC1=CC=C(Br)C=C1.C1CCOC1.II.O.O=C1CCN(CC2=CC=CC=C2)CC1.[MgH2] </SMILES> Given the above reactants and reagents, what could be a probable product of their reaction? | A probable product could be <SMILES> OC1(C2=CC=C(Br)C=C2)CCN(CC2=CC=CC=C2)CC1 </SMILES> . | BrC1=CC=C(Br)C=C1.C1CCOC1.II.O.O=C1CCN(CC2=CC=CC=C2)CC1.[MgH2] | OC1(C2=CC=C(Br)C=C2)CCN(CC2=CC=CC=C2)CC1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.26225.None | <SMILES> C=CCOC(=O)NCCCCN.CN(C)C1=CC=CC2=CC=CC(N(C)C)=C12.ClCCl.O=C(Br)CBr </SMILES> Given the above reactants and reagents, what could be a probable product of their reaction? | A probable product could be <SMILES> C=CCOC(=O)NCCCCNC(=O)CBr </SMILES> . | C=CCOC(=O)NCCCCN.CN(C)C1=CC=CC2=CC=CC(N(C)C)=C12.ClCCl.O=C(Br)CBr | C=CCOC(=O)NCCCCNC(=O)CBr | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.777572.None | Predict the product of a chemical reaction with <SMILES> C1=CC=C([PH](C2=CC=CC=C2)(C2=CC=CC=C2)[Pd]([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)[PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1=CC=CC=C1.CCO.CCOC(=O)CCCCCCN(CC1=CC=C(I)C=C1)S(C)(=O)=O.CCOC(C)=O.O=C([O-])[O-].OB(O... | <SMILES> CCOC(=O)CCCCCCN(CC1=CC=C(C2=CC=CC=C2)C=C1)S(C)(=O)=O </SMILES> | C1=CC=C([PH](C2=CC=CC=C2)(C2=CC=CC=C2)[Pd]([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)[PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1=CC=CC=C1.CCO.CCOC(=O)CCCCCCN(CC1=CC=C(I)C=C1)S(C)(=O)=O.CCOC(C)=O.O=C([O-])[O-].OB(O)C1=CC=CC=C1.[Na+] | CCOC(=O)CCCCCCN(CC1=CC=C(C2=CC=CC=C2)C=C1)S(C)(=O)=O | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.288389.None | Predict a possible product from the listed reactants and reagents. <SMILES> CCCCO.CSC1=NCCS[C@](C)(CO[Si](C)(C)C(C)(C)C)C1.NNC(=O)C1(C2=CC=C(Cl)C=C2)CC1 </SMILES> | <SMILES> CC(C)(C)[Si](C)(C)OC[C@]1(C)CC2=NN=C(C3(C4=CC=C(Cl)C=C4)CC3)N2CCS1 </SMILES> | CCCCO.CSC1=NCCS[C@](C)(CO[Si](C)(C)C(C)(C)C)C1.NNC(=O)C1(C2=CC=C(Cl)C=C2)CC1 | CC(C)(C)[Si](C)(C)OC[C@]1(C)CC2=NN=C(C3(C4=CC=C(Cl)C=C4)CC3)N2CCS1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.256787.None | <SMILES> COC(=O)C1=C(O)C2=CC=C(Cl)C=C2OC1=O.COCCO.Cl.NCC(=O)[O-].O.[Na+] </SMILES> Given the above reactants and reagents, what could be a probable product of their reaction? | A probable product could be <SMILES> O=C(O)CNC(=O)C1=C(O)C2=CC=C(Cl)C=C2OC1=O </SMILES> . | COC(=O)C1=C(O)C2=CC=C(Cl)C=C2OC1=O.COCCO.Cl.NCC(=O)[O-].O.[Na+] | O=C(O)CNC(=O)C1=C(O)C2=CC=C(Cl)C=C2OC1=O | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.234053.None | <SMILES> CN1C2=C(CN(C(=O)OC(C)(C)C)CCC2)C2=CC=C(N3C=CC(OCC4=CC=C(F)C=C4)=CC3=O)C=C21.Cl.ClCCl </SMILES> Given the above reactants and reagents, what could be a probable product of their reaction? | A probable product could be <SMILES> CN1C2=C(CNCCC2)C2=CC=C(N3C=CC(OCC4=CC=C(F)C=C4)=CC3=O)C=C21 </SMILES> . | CN1C2=C(CN(C(=O)OC(C)(C)C)CCC2)C2=CC=C(N3C=CC(OCC4=CC=C(F)C=C4)=CC3=O)C=C21.Cl.ClCCl | CN1C2=C(CNCCC2)C2=CC=C(N3C=CC(OCC4=CC=C(F)C=C4)=CC3=O)C=C21 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.146316.None | Given the following reactants and reagents, please provide a possible product. <SMILES> CCCCCCCCCCCCCCCC(=O)Cl.NC1CCCC(=O)C1 </SMILES> | <SMILES> CCCCCCCCCCCCCCCC(=O)NC1CCCC(=O)C1 </SMILES> | CCCCCCCCCCCCCCCC(=O)Cl.NC1CCCC(=O)C1 | CCCCCCCCCCCCCCCC(=O)NC1CCCC(=O)C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.772246.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> CC(=O)O.CC(C)(C)OC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)O.CCOCC.CO.Cl </SMILES> . | <SMILES> N=C(NCCC[C@H](N)C(=O)O)N[N+](=O)[O-] </SMILES> | CC(=O)O.CC(C)(C)OC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)O.CCOCC.CO.Cl | N=C(NCCC[C@H](N)C(=O)O)N[N+](=O)[O-] | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.107473.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> C1CCOC1.CCC1=NC=CN1C1=CC(C(=O)OC)=CC(C2=CC=C(C)C=C2)=C1.O.[Li]O </SMILES> . | <SMILES> CCC1=NC=CN1C1=CC(C(=O)O)=CC(C2=CC=C(C)C=C2)=C1 </SMILES> | C1CCOC1.CCC1=NC=CN1C1=CC(C(=O)OC)=CC(C2=CC=C(C)C=C2)=C1.O.[Li]O | CCC1=NC=CN1C1=CC(C(=O)O)=CC(C2=CC=C(C)C=C2)=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.709570.None | Given the following reactants and reagents, please provide a possible product. <SMILES> CCO.CCOC(=O)CCC1=CC=CC=C1COCCN1CCCC1.Cl.[Na+].[OH-] </SMILES> | <SMILES> O=C(O)CCC1=CC=CC=C1COCCN1CCCC1 </SMILES> | CCO.CCOC(=O)CCC1=CC=CC=C1COCCN1CCCC1.Cl.[Na+].[OH-] | O=C(O)CCC1=CC=CC=C1COCCN1CCCC1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.776646.None | <SMILES> CC1=CC=CC=C1.CC1=CC=CC=C1COC1=CC=CN=C1N.CCOCC.S=C=NC1=CC=CC=C1 </SMILES> Considering the given starting materials, what might be the resulting product in a chemical reaction? | <SMILES> CC1=CC=CC=C1COC1=CC=CN=C1NC(=S)NC1=CC=CC=C1 </SMILES> | CC1=CC=CC=C1.CC1=CC=CC=C1COC1=CC=CN=C1N.CCOCC.S=C=NC1=CC=CC=C1 | CC1=CC=CC=C1COC1=CC=CN=C1NC(=S)NC1=CC=CC=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.935518.None | A chemical reaction has started with the substance(s) <SMILES> C1=CN=C2C(=C1)C=CC1=CC=CN=C12.C=CC(C)O.CC1=CC=CC=C1.COC1=CC=C(I)C=C1.O=C([O-])[O-].[Cs+].[Cu]I </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> C=CC(C)OC1=CC=C(OC)C=C1 </SMILES> . | C1=CN=C2C(=C1)C=CC1=CC=CN=C12.C=CC(C)O.CC1=CC=CC=C1.COC1=CC=C(I)C=C1.O=C([O-])[O-].[Cs+].[Cu]I | C=CC(C)OC1=CC=C(OC)C=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.571858.None | Predict the product of a chemical reaction with <SMILES> C1COCCO1.CC(C)(C)OC(=O)N1CCC(SC2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2)CC1.Cl </SMILES> as the reactants and reagents. | <SMILES> CC(C)(C)C1=CC(SC2CCNCC2)=CC(C(C)(C)C)=C1O </SMILES> | C1COCCO1.CC(C)(C)OC(=O)N1CCC(SC2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2)CC1.Cl | CC(C)(C)C1=CC(SC2CCNCC2)=CC(C(C)(C)C)=C1O | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.91161.None | <SMILES> CC(C)=O.CSC1=CC=CC=C1O.O.O=S([O-])OO.[K+] </SMILES> Based on the reactants and reagents given above, suggest a possible product. | A possible product can be <SMILES> CS(=O)(=O)C1=CC=CC=C1O </SMILES> . | CC(C)=O.CSC1=CC=CC=C1O.O.O=S([O-])OO.[K+] | CS(=O)(=O)C1=CC=CC=C1O | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.619176.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> BrBr.CC(C)C(=O)C1=CC=C2OCC(C)(C)C2=C1.Cl.ClCCl.[Al+3].[Cl-] </SMILES> . | <SMILES> CC(C)C(=O)C1=CC(Br)=C2OCC(C)(C)C2=C1 </SMILES> | BrBr.CC(C)C(=O)C1=CC=C2OCC(C)(C)C2=C1.Cl.ClCCl.[Al+3].[Cl-] | CC(C)C(=O)C1=CC(Br)=C2OCC(C)(C)C2=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.442417.None | Given the following reactants and reagents, please provide a possible product. <SMILES> C1=CC=NC=C1.CC(=O)OC(C)=O.CCOC(C)=O.COC(=O)C1=CC(N)=CC(C2=CC=C(C)C=C2)=C1.ClCCl </SMILES> | <SMILES> COC(=O)C1=CC(NC(C)=O)=CC(C2=CC=C(C)C=C2)=C1 </SMILES> | C1=CC=NC=C1.CC(=O)OC(C)=O.CCOC(C)=O.COC(=O)C1=CC(N)=CC(C2=CC=C(C)C=C2)=C1.ClCCl | COC(=O)C1=CC(NC(C)=O)=CC(C2=CC=C(C)C=C2)=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.33326.None | <SMILES> C1CCC2=NCCCN2CC1.CC(C)(C)O.CC1=CC=C2SC(C(=O)O)=CC2=C1.CCOC(C)=O.CN(C)C=O.O=C(N1C=CN=C1)N1C=CN=C1 </SMILES> Given the above reactants and reagents, what could be a probable product of their reaction? | A probable product could be <SMILES> CC1=CC=C2SC(C(=O)OC(C)(C)C)=CC2=C1 </SMILES> . | C1CCC2=NCCCN2CC1.CC(C)(C)O.CC1=CC=C2SC(C(=O)O)=CC2=C1.CCOC(C)=O.CN(C)C=O.O=C(N1C=CN=C1)N1C=CN=C1 | CC1=CC=C2SC(C(=O)OC(C)(C)C)=CC2=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.31244.None | <SMILES> CC1=C(Cl)C2=C(Cl)N=C(C3=CC=NC=C3)N=C2S1.NCC1=CC=CC=C1 </SMILES> Based on the reactants and reagents given above, suggest a possible product. | A possible product can be <SMILES> CC1=C(Cl)C2=C(NCC3=CC=CC=C3)N=C(C3=CC=NC=C3)N=C2S1 </SMILES> . | CC1=C(Cl)C2=C(Cl)N=C(C3=CC=NC=C3)N=C2S1.NCC1=CC=CC=C1 | CC1=C(Cl)C2=C(NCC3=CC=CC=C3)N=C(C3=CC=NC=C3)N=C2S1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.98246.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> CCOC(=O)C1=CC2=C(C=N1)C(CC1=CC(F)=C(F)C(F)=C1O)=CN2CC.CCOC(=O)C1=CC2=C(C=N1)C(COC1=CC=C(F)C(F)(F)C1)=CN2CC.O=C(NO)C1=CC2=C(C=N1)N(CC1=CC=C(F)C=C1F)C=C2COCC1=CC=CC=C1 </SMILES> . | <SMILES> CCN1C=C(CC2=CC(F)=C(F)C(F)=C2O)C2=CN=C(C(=O)NO)C=C21 </SMILES> | CCOC(=O)C1=CC2=C(C=N1)C(CC1=CC(F)=C(F)C(F)=C1O)=CN2CC.CCOC(=O)C1=CC2=C(C=N1)C(COC1=CC=C(F)C(F)(F)C1)=CN2CC.O=C(NO)C1=CC2=C(C=N1)N(CC1=CC=C(F)C=C1F)C=C2COCC1=CC=CC=C1 | CCN1C=C(CC2=CC(F)=C(F)C(F)=C2O)C2=CN=C(C(=O)NO)C=C21 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.229258.None | Based on the given reactants and reagents: <SMILES> CC(=O)[O-].CC(C)=O.COC1=CC=C(I)C=C1.O.O=C([O-])[O-].OB(O)C1=CC=CC(O)=C1.[K+].[Pd+2] </SMILES>, what product could potentially be produced? | The product can be <SMILES> COC1=CC=C(C2=CC=CC(O)=C2)C=C1 </SMILES> . | CC(=O)[O-].CC(C)=O.COC1=CC=C(I)C=C1.O.O=C([O-])[O-].OB(O)C1=CC=CC(O)=C1.[K+].[Pd+2] | COC1=CC=C(C2=CC=CC(O)=C2)C=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.243962.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> BrCC1=CC=CC=C1.CC#N.O=C([O-])[O-].O=[N+]([O-])C1=CC=C(F)C=C1O.[K+] </SMILES> . | <SMILES> O=[N+]([O-])C1=CC=C(F)C=C1OCC1=CC=CC=C1 </SMILES> | BrCC1=CC=CC=C1.CC#N.O=C([O-])[O-].O=[N+]([O-])C1=CC=C(F)C=C1O.[K+] | O=[N+]([O-])C1=CC=C(F)C=C1OCC1=CC=CC=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.529903.None | Can you tell me the potential product of a chemical reaction that uses <SMILES> C1CCOC1.CCN(CC)CC.CN(C)C1=CC=CC=C1.ClC(Cl)Cl.O=C(Cl)C1=CC=C(F)C=C1 </SMILES> as the reactants and reagents? | Sure. A potential product: <SMILES> CC1=CC=CC(C)=C1NC(=O)C1=CC=C(F)C=C1 </SMILES> . | C1CCOC1.CCN(CC)CC.CN(C)C1=CC=CC=C1.ClC(Cl)Cl.O=C(Cl)C1=CC=C(F)C=C1 | CC1=CC=CC(C)=C1NC(=O)C1=CC=C(F)C=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.631262.None | A chemical reaction has started with the substance(s) <SMILES> C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(=O)[O-].CC1=CC=CC=C1.CCCCCCCCCCC.Cl[Pd]Cl.O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1Br.OB(O)C1=CC=CC=C1.[Pd+2] </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1C1=CC=CC=C1 </SMILES> . | C1=CC=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC(=O)[O-].CC1=CC=CC=C1.CCCCCCCCCCC.Cl[Pd]Cl.O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1Br.OB(O)C1=CC=CC=C1.[Pd+2] | O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1C1=CC=CC=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.27824.None | A chemical reaction has started with the substance(s) <SMILES> C1CCOC1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=NC=C(C2=NC(N3CCOCC3)=C3N=CN(CC(=O)[O-])C3=N2)C=N1.O.[Li+].[OH-] </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> CC(C)(C)OC(=O)NC1=NC=C(C2=NC(N3CCOCC3)=C3N=CN(CC(=O)O)C3=N2)C=N1 </SMILES> . | C1CCOC1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=NC=C(C2=NC(N3CCOCC3)=C3N=CN(CC(=O)[O-])C3=N2)C=N1.O.[Li+].[OH-] | CC(C)(C)OC(=O)NC1=NC=C(C2=NC(N3CCOCC3)=C3N=CN(CC(=O)O)C3=N2)C=N1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.588508.None | <SMILES> CC1=CC=C(O)C=C1N.CN(C)C=O.O=C(NC1=CN2N=C(I)C=CC2=N1)C1CC1.O=C([O-])[O-].[K+] </SMILES> Based on the reactants and reagents given above, suggest a possible product. | A possible product can be <SMILES> CC1=CC=C(OC2=NN3C=C(NC(=O)C4CC4)N=C3C=C2)C=C1N </SMILES> . | CC1=CC=C(O)C=C1N.CN(C)C=O.O=C(NC1=CN2N=C(I)C=CC2=N1)C1CC1.O=C([O-])[O-].[K+] | CC1=CC=C(OC2=NN3C=C(NC(=O)C4CC4)N=C3C=C2)C=C1N | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.208496.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> C=O.CO.O.O=C1NCCN=C1C1=CC=C([N+](=O)[O-])C=C1.[BH3-]C#N.[Cl-].[Na+].[OH-].[Zn+2] </SMILES> . | <SMILES> CN1CCNC(=O)C1C1=CC=C([N+](=O)[O-])C=C1 </SMILES> | C=O.CO.O.O=C1NCCN=C1C1=CC=C([N+](=O)[O-])C=C1.[BH3-]C#N.[Cl-].[Na+].[OH-].[Zn+2] | CN1CCNC(=O)C1C1=CC=C([N+](=O)[O-])C=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.750800.None | A chemical reaction has started with the substance(s) <SMILES> C1CCOC1.CC(C)(C)OC(=O)NCCC[C@@H](OC1=CC(Cl)=C(F)C=C1C#N)C1=COC=C1.CI.[Cl-].[H-].[NH4+].[Na+] </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> CN(CCC[C@@H](OC1=CC(Cl)=C(F)C=C1C#N)C1=COC=C1)C(=O)OC(C)(C)C </SMILES> . | C1CCOC1.CC(C)(C)OC(=O)NCCC[C@@H](OC1=CC(Cl)=C(F)C=C1C#N)C1=COC=C1.CI.[Cl-].[H-].[NH4+].[Na+] | CN(CCC[C@@H](OC1=CC(Cl)=C(F)C=C1C#N)C1=COC=C1)C(=O)OC(C)(C)C | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.681453.None | Using <SMILES> CC(=O)OCCOC1=CC=C(C=O)C=C1.COCCOC.COP(=O)(CC1=CC=C(S(C)(=O)=O)C=C1)OC.[H-].[Na+] </SMILES> as the reactants and reagents, tell me the potential product. | <SMILES> CC(=O)OCCOC1=CC=C(C=CC2=CC=C(S(C)(=O)=O)C=C2)C=C1 </SMILES> | CC(=O)OCCOC1=CC=C(C=O)C=C1.COCCOC.COP(=O)(CC1=CC=C(S(C)(=O)=O)C=C1)OC.[H-].[Na+] | CC(=O)OCCOC1=CC=C(C=CC2=CC=C(S(C)(=O)=O)C=C2)C=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.735392.None | Predict a possible product from the listed reactants and reagents. <SMILES> CCO.CCOC(=O)C#CC(=O)OCC.NC1=NC2=CC=CC=C2OC1 </SMILES> | <SMILES> CCOC(=O)C1=CC(=O)N=C2COC3=CC=CC=C3N12 </SMILES> | CCO.CCOC(=O)C#CC(=O)OCC.NC1=NC2=CC=CC=C2OC1 | CCOC(=O)C1=CC(=O)N=C2COC3=CC=CC=C3N12 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.571412.None | A chemical reaction has started with the substance(s) <SMILES> CC1=CC=C(S(=O)(=O)O)C=C1.COC(=O)[C@@H]1NC(=O)[C@@H]1NC(=O)OC(C)(C)C.OCC1CCN1.[BH4-].[N-]=[N+]=[N-].[Na+] </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> CC(C)(C)OC(=O)N[C@H]1C(=O)N[C@H]1CN=[N+]=[N-] </SMILES> . | CC1=CC=C(S(=O)(=O)O)C=C1.COC(=O)[C@@H]1NC(=O)[C@@H]1NC(=O)OC(C)(C)C.OCC1CCN1.[BH4-].[N-]=[N+]=[N-].[Na+] | CC(C)(C)OC(=O)N[C@H]1C(=O)N[C@H]1CN=[N+]=[N-] | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.439898.None | Based on the given reactants and reagents: <SMILES> CCCCOC(=O)C1=C(O)C2=CC(O)=C(O)C=C2S1.[Na+].[OH-] </SMILES>, what product could potentially be produced? | The product can be <SMILES> OC1=CC2=C(C=C1O)C(O)=CS2 </SMILES> . | CCCCOC(=O)C1=C(O)C2=CC(O)=C(O)C=C2S1.[Na+].[OH-] | OC1=CC2=C(C=C1O)C(O)=CS2 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.231148.None | Propose a potential product given these reactants and reagents. <SMILES> C1CCOC1.C[C@@H](N)C(=O)O.O.O=C(N[C@@H](CC1=CC=CC=C1)C(=O)OC1=C(F)C(F)=C(F)C(F)=C1F)OCC1=CC=CC=C1 </SMILES> | <SMILES> C[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)C(=O)O </SMILES> | C1CCOC1.C[C@@H](N)C(=O)O.O.O=C(N[C@@H](CC1=CC=CC=C1)C(=O)OC1=C(F)C(F)=C(F)C(F)=C1F)OCC1=CC=CC=C1 | C[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)C(=O)O | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.471029.None | <SMILES> CC(=O)CCl.CCS(=O)(=O)C1=CC=C(C(=O)OC)C(Cl)=C1O.CN(C)C=O.O.O=C([O-])[O-].[K+] </SMILES> Considering the given starting materials, what might be the resulting product in a chemical reaction? | <SMILES> CCS(=O)(=O)C1=CC=C(C(=O)OC)C(Cl)=C1OCC(C)=O </SMILES> | CC(=O)CCl.CCS(=O)(=O)C1=CC=C(C(=O)OC)C(Cl)=C1O.CN(C)C=O.O.O=C([O-])[O-].[K+] | CCS(=O)(=O)C1=CC=C(C(=O)OC)C(Cl)=C1OCC(C)=O | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.617889.None | Using <SMILES> C1=CC=C([PH](C2=CC=CC=C2)(C2=CC=CC=C2)[Pd]([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)[PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC1=CC(Cl)=C(F)C=C1B(O)O.O=C([O-])[O-].O=S(=O)(OC1=C(F)C(F)=C(F)C(F)=C1F)C1=CC=C2C(Cl)=NC=CC2=C1.[K+] </SMILES> as the reactants ... | <SMILES> COC1=CC(Cl)=C(F)C=C1C1=NC=CC2=CC(S(=O)(=O)OC3=C(F)C(F)=C(F)C(F)=C3F)=CC=C12 </SMILES> | C1=CC=C([PH](C2=CC=CC=C2)(C2=CC=CC=C2)[Pd]([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)[PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.COC1=CC(Cl)=C(F)C=C1B(O)O.O=C([O-])[O-].O=S(=O)(OC1=C(F)C(F)=C(F)C(F)=C1F)C1=CC=C2C(Cl)=NC=CC2=C1.[K+] | COC1=CC(Cl)=C(F)C=C1C1=NC=CC2=CC(S(=O)(=O)OC3=C(F)C(F)=C(F)C(F)=C3F)=CC=C12 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.291704.None | Predict a possible product from the listed reactants and reagents. <SMILES> CCO.CCOC(=O)C1=C(OC2=CC=C(N3C(=O)N(CC)C4=CC(C)=CN=C43)C=C2)N=C2C=CC=CN12.Cl.[Na+].[OH-] </SMILES> | <SMILES> CCN1C(=O)N(C2=CC=C(OC3=CN4C=CC=CC4=N3)C=C2)C2=NC=C(C)C=C21 </SMILES> | CCO.CCOC(=O)C1=C(OC2=CC=C(N3C(=O)N(CC)C4=CC(C)=CN=C43)C=C2)N=C2C=CC=CN12.Cl.[Na+].[OH-] | CCN1C(=O)N(C2=CC=C(OC3=CN4C=CC=CC4=N3)C=C2)C2=NC=C(C)C=C21 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.848749.None | Given the following reactants and reagents, please provide a possible product. <SMILES> NCC1=CC=CC=C1.O=C1OCCC1=CO.[NaH] </SMILES> | <SMILES> O=C1OCCC1=CNCC1=CC=CC=C1 </SMILES> | NCC1=CC=CC=C1.O=C1OCCC1=CO.[NaH] | O=C1OCCC1=CNCC1=CC=CC=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.911527.None | A chemical reaction has started with the substance(s) <SMILES> CC(C)(C)OC(=O)NC1=NC2=C(C(=O)NC3CN4CCC3CC4)C=C(Cl)C=C2O1.ClCCl.O=C(O)C(F)(F)F </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> NC1=NC2=C(C(=O)N[C@@H]3CN4CCC3CC4)C=C(Cl)C=C2O1 </SMILES> . | CC(C)(C)OC(=O)NC1=NC2=C(C(=O)NC3CN4CCC3CC4)C=C(Cl)C=C2O1.ClCCl.O=C(O)C(F)(F)F | NC1=NC2=C(C(=O)N[C@@H]3CN4CCC3CC4)C=C(Cl)C=C2O1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.6814.None | <SMILES> CC1=C(Br)C=CC=C1C(=O)O.CI.CN(C)C=O.O=C([O-])O.[Na+] </SMILES> Considering the given starting materials, what might be the resulting product in a chemical reaction? | <SMILES> COC(=O)C1=CC=CC(Br)=C1C </SMILES> | CC1=C(Br)C=CC=C1C(=O)O.CI.CN(C)C=O.O=C([O-])O.[Na+] | COC(=O)C1=CC=CC(Br)=C1C | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.795667.None | Consider that for a chemical reaction, if <SMILES> C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.CC[Si](CC)(CC)OC(C)(C)C#CCO[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC[C@]12C.[F-] </SMILES> is/are the reactants and reagents, what can be the product? | <SMILES> C[C@H](OCC#CC(C)(C)O)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C </SMILES> | C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.CC[Si](CC)(CC)OC(C)(C)C#CCO[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC[C@]12C.[F-] | C[C@H](OCC#CC(C)(C)O)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.844962.None | Consider that for a chemical reaction, if <SMILES> CCN(C(C)C)C(C)C.CN(C)C(ON1N=NC2=CC=CC=C21)=[N+](C)C.COC1=CC(C(=O)O)=CC=C1NC1=NC=C2C(=N1)N(C1CCCC1)CC1(CC1)C(=O)N2C.Cl.ClCCl.F[B-](F)(F)F.N[C@H]1CN2CCC1CC2 </SMILES> is/are the reactants and reagents, what can be the product? | <SMILES> COC1=CC(C(=O)N[C@H]2CN3CCC2CC3)=CC=C1NC1=NC=C2C(=N1)N(C1CCCC1)CC1(CC1)C(=O)N2C </SMILES> | CCN(C(C)C)C(C)C.CN(C)C(ON1N=NC2=CC=CC=C21)=[N+](C)C.COC1=CC(C(=O)O)=CC=C1NC1=NC=C2C(=N1)N(C1CCCC1)CC1(CC1)C(=O)N2C.Cl.ClCCl.F[B-](F)(F)F.N[C@H]1CN2CCC1CC2 | COC1=CC(C(=O)N[C@H]2CN3CCC2CC3)=CC=C1NC1=NC=C2C(=N1)N(C1CCCC1)CC1(CC1)C(=O)N2C | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.167414.None | <SMILES> C1=CC=CC=C1.CC(Cl)Cl.CC1=CC=CC=C1.CC1=CC=CC=C1C.ClC(Cl)=C(Cl)Cl.ClC=C(Cl)Cl.ClCCCl </SMILES> Given the above reactants and reagents, what could be a probable product of their reaction? | A probable product could be <SMILES> C1=CC=C2CCCCC2=C1 </SMILES> . | C1=CC=CC=C1.CC(Cl)Cl.CC1=CC=CC=C1.CC1=CC=CC=C1C.ClC(Cl)=C(Cl)Cl.ClC=C(Cl)Cl.ClCCCl | C1=CC=C2CCCCC2=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.732052.None | Predict a possible product from the listed reactants and reagents. <SMILES> C1CCOC1.CC(C(O)C1=CC=CC=C1)N(C)C(=O)CC1=CC=CC=C1.CC(C)NC(C)C.CCI.C[Si](C)(C)O[Si](C)(C)C.[Cl-].[Li+].[Li]CCCC </SMILES> | <SMILES> CCC(C(=O)N(C)C(C)C(O)C1=CC=CC=C1)C1=CC=CC=C1 </SMILES> | C1CCOC1.CC(C(O)C1=CC=CC=C1)N(C)C(=O)CC1=CC=CC=C1.CC(C)NC(C)C.CCI.C[Si](C)(C)O[Si](C)(C)C.[Cl-].[Li+].[Li]CCCC | CCC(C(=O)N(C)C(C)C(O)C1=CC=CC=C1)C1=CC=CC=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.443143.None | Consider that for a chemical reaction, if <SMILES> CN1CCNCC1.COC1=CC2=NC=NC(SC3=CC=CC(NC(=O)NC4=NOC(C(C)(C)C)=C4)=C3)=C2C=C1OCCCN1CCCCC1 </SMILES> is/are the reactants and reagents, what can be the product? | <SMILES> COC1=CC2=NC=NC(SC3=CC=CC(NC(=O)NC4=NOC(C(C)(C)C)=C4)=C3)=C2C=C1OCCCN1CCN(C)CC1 </SMILES> | CN1CCNCC1.COC1=CC2=NC=NC(SC3=CC=CC(NC(=O)NC4=NOC(C(C)(C)C)=C4)=C3)=C2C=C1OCCCN1CCCCC1 | COC1=CC2=NC=NC(SC3=CC=CC(NC(=O)NC4=NOC(C(C)(C)C)=C4)=C3)=C2C=C1OCCCN1CCN(C)CC1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.356778.None | Using <SMILES> C1CCOC1.CCN(CC)CC.COCCOCOC1=C(C(C)(C)C)N=C(C(=O)NN)N=C1C(C)(C)C.O=C(C1=NC=CN1)C1=NC=CN1 </SMILES> as the reactants and reagents, tell me the potential product. | <SMILES> CC(C)(C)C1=NC(C2=NNC(=O)O2)=NC(C(C)(C)C)=C1O </SMILES> | C1CCOC1.CCN(CC)CC.COCCOCOC1=C(C(C)(C)C)N=C(C(=O)NN)N=C1C(C)(C)C.O=C(C1=NC=CN1)C1=NC=CN1 | CC(C)(C)C1=NC(C2=NNC(=O)O2)=NC(C(C)(C)C)=C1O | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.291369.None | Predict a possible product from the listed reactants and reagents. <SMILES> CC(Cl)Cl.O=C(Cl)C1=CN(C2=CC=CC=C2)N=C1C1=CC=C([N+](=O)[O-])O1.O=C(O)C1=CN(C2=CC=CC=C2)N=C1C1=CC=C([N+](=O)[O-])O1.O=P(Cl)(Cl)Cl </SMILES> | <SMILES> NC(=O)C1=CN(C2=CC=CC=C2)N=C1C1=CC=C([N+](=O)[O-])O1 </SMILES> | CC(Cl)Cl.O=C(Cl)C1=CN(C2=CC=CC=C2)N=C1C1=CC=C([N+](=O)[O-])O1.O=C(O)C1=CN(C2=CC=CC=C2)N=C1C1=CC=C([N+](=O)[O-])O1.O=P(Cl)(Cl)Cl | NC(=O)C1=CN(C2=CC=CC=C2)N=C1C1=CC=C([N+](=O)[O-])O1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.163032.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> C1=CC=C2SC3=CC=CC=C3NC2=C1.C=C(C)C(N)=O.CN(C)C=O.N#CCCCl.[K+].[OH-] </SMILES> . | <SMILES> C=C(C)C(=O)N(C)CCC#N </SMILES> | C1=CC=C2SC3=CC=CC=C3NC2=C1.C=C(C)C(N)=O.CN(C)C=O.N#CCCCl.[K+].[OH-] | C=C(C)C(=O)N(C)CCC#N | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.225772.None | Predict a possible product from the listed reactants and reagents. <SMILES> C#CCCC.C1CCOC1.O=C(CC1(C2=CC(C(F)(F)F)=CC=C2F)CC1)C(=O)NC1=CC=C2C(=O)OCC2=C1.[Cl-].[Li]CCCC.[NH4+] </SMILES> | <SMILES> CCCC#CC(O)(CC1(C2=CC(C(F)(F)F)=CC=C2F)CC1)C(=O)NC1=CC=C2C(=O)OCC2=C1 </SMILES> | C#CCCC.C1CCOC1.O=C(CC1(C2=CC(C(F)(F)F)=CC=C2F)CC1)C(=O)NC1=CC=C2C(=O)OCC2=C1.[Cl-].[Li]CCCC.[NH4+] | CCCC#CC(O)(CC1(C2=CC(C(F)(F)F)=CC=C2F)CC1)C(=O)NC1=CC=C2C(=O)OCC2=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.800581.None | <SMILES> CCOC(=O)[C@H](CC1=CC=CC(OC)=C1)NC(=O)CNC(=O)OC(C)(C)C.ClCCl.O=C(O)C(F)(F)F </SMILES> Based on the reactants and reagents given above, suggest a possible product. | A possible product can be <SMILES> CCOC(=O)[C@H](CC1=CC=CC(OC)=C1)NC(=O)CN </SMILES> . | CCOC(=O)[C@H](CC1=CC=CC(OC)=C1)NC(=O)CNC(=O)OC(C)(C)C.ClCCl.O=C(O)C(F)(F)F | CCOC(=O)[C@H](CC1=CC=CC(OC)=C1)NC(=O)CN | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.352944.None | <SMILES> C1CCOC1.COC1=CC(C(=O)O)=C(Br)C=C1Cl.CON(C)C(=O)C1=CC=CC(C#N)=C1.Cl.O.[Li]CCCC </SMILES> Based on the reactants and reagents given above, suggest a possible product. | A possible product can be <SMILES> COC1=CC(C(=O)O)=C(C(=O)C2=CC=CC(C#N)=C2)C=C1Cl </SMILES> . | C1CCOC1.COC1=CC(C(=O)O)=C(Br)C=C1Cl.CON(C)C(=O)C1=CC=CC(C#N)=C1.Cl.O.[Li]CCCC | COC1=CC(C(=O)O)=C(C(=O)C2=CC=CC(C#N)=C2)C=C1Cl | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.107175.None | A chemical reaction has started with the substance(s) <SMILES> CC1=CC(NC2=NC(NC3=CC(C)=C(C4CCNCC4)C=C3F)=NC=C2Cl)=NN1.CCN(CC)CC.CN(C)C=O.FC(F)(F)CCBr </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> CC1=CC(NC2=NC(NC3=CC(C)=C(C4CCN(CCC(F)(F)F)CC4)C=C3F)=NC=C2Cl)=NN1 </SMILES> . | CC1=CC(NC2=NC(NC3=CC(C)=C(C4CCNCC4)C=C3F)=NC=C2Cl)=NN1.CCN(CC)CC.CN(C)C=O.FC(F)(F)CCBr | CC1=CC(NC2=NC(NC3=CC(C)=C(C4CCN(CCC(F)(F)F)CC4)C=C3F)=NC=C2Cl)=NN1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.97251.None | A chemical reaction has started with the substance(s) <SMILES> CN(C)C=O.O=[N+]([O-])C1=CC=C(OC2=CC=NC3=CC(O)=CC=C23)C=C1.OCCBr.[K+].[OH-] </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> O=[N+]([O-])C1=CC=C(OC2=CC=NC3=CC(OCCO)=CC=C23)C=C1 </SMILES> . | CN(C)C=O.O=[N+]([O-])C1=CC=C(OC2=CC=NC3=CC(O)=CC=C23)C=C1.OCCBr.[K+].[OH-] | O=[N+]([O-])C1=CC=C(OC2=CC=NC3=CC(OCCO)=CC=C23)C=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.398382.None | Predict the product of a chemical reaction with <SMILES> C1CCOC1.CC(=N)N(C(=O)OCC1=CC=C([N+](=O)[O-])C=C1)C1CN(C(=O)[C@@H]2C[C@H](SC3=C(C(=O)OCC4=CC=C([N+](=O)[O-])C=C4)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)CN2C(=O)OCC2=CC=C([N+](=O)[O-])C=C2)C1.O.[H][H].[Pd] </SMILES> as the reactants and reagents. | <SMILES> CC(=N)NC1CN(C(=O)[C@@H]2C[C@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)CN2)C1 </SMILES> | C1CCOC1.CC(=N)N(C(=O)OCC1=CC=C([N+](=O)[O-])C=C1)C1CN(C(=O)[C@@H]2C[C@H](SC3=C(C(=O)OCC4=CC=C([N+](=O)[O-])C=C4)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)CN2C(=O)OCC2=CC=C([N+](=O)[O-])C=C2)C1.O.[H][H].[Pd] | CC(=N)NC1CN(C(=O)[C@@H]2C[C@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)CN2)C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.101414.None | A chemical reaction has started with the substance(s) <SMILES> CCCC[Sn](=O)CCCC.CO.COC(=O)CCCCC(=O)OC.COC1=CC=C(CN2CCN(CC3=CC=CC=C3)CC2)C(O)=C1OC </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> O=C([O-])CCCCC(=O)[O-] </SMILES> . | CCCC[Sn](=O)CCCC.CO.COC(=O)CCCCC(=O)OC.COC1=CC=C(CN2CCN(CC3=CC=CC=C3)CC2)C(O)=C1OC | O=C([O-])CCCCC(=O)[O-] | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.376417.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> Br.CC#N.CC(=O)O.COC[C@@H](C)NC1=NC=C(C2=CC=C(OC3=CC=NC(C4=CN(C)N=C4)=C3)C(C)=N2)C(OC)=N1 </SMILES> . | <SMILES> COC[C@@H](C)NC1=NC=C(C2=CC=C(OC3=CC=NC(C4=CN(C)N=C4)=C3)C(C)=N2)C(=O)N1 </SMILES> | Br.CC#N.CC(=O)O.COC[C@@H](C)NC1=NC=C(C2=CC=C(OC3=CC=NC(C4=CN(C)N=C4)=C3)C(C)=N2)C(OC)=N1 | COC[C@@H](C)NC1=NC=C(C2=CC=C(OC3=CC=NC(C4=CN(C)N=C4)=C3)C(C)=N2)C(=O)N1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.888662.None | Predict the product of a chemical reaction with <SMILES> C=CC(=O)Cl.CC(C)(C)OC(=O)N1CCC(O)(CN)CC1.NC1=NC=NC(Cl)=C1Cl.OB(O)C1=CC=C(OC2=CC=CC=C2)C=C1 </SMILES> as the reactants and reagents. | <SMILES> C=CC(=O)N1CCC(O)(CNC2=NC=NC(N)=C2C2=CC=C(OC3=CC=CC=C3)C=C2)CC1 </SMILES> | C=CC(=O)Cl.CC(C)(C)OC(=O)N1CCC(O)(CN)CC1.NC1=NC=NC(Cl)=C1Cl.OB(O)C1=CC=C(OC2=CC=CC=C2)C=C1 | C=CC(=O)N1CCC(O)(CNC2=NC=NC(N)=C2C2=CC=C(OC3=CC=CC=C3)C=C2)CC1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.360663.None | Given the following reactants and reagents, please provide a possible product. <SMILES> C1CCOC1.CC(C)CC(=O)O.CCN(CC)CC.FC(F)CC(=S)Cl </SMILES> | <SMILES> CC(C)CC(=O)OC(=S)CC(F)F </SMILES> | C1CCOC1.CC(C)CC(=O)O.CCN(CC)CC.FC(F)CC(=S)Cl | CC(C)CC(=O)OC(=S)CC(F)F | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.633052.None | Using <SMILES> CC#N.CCN(C(C)C)C(C)C.CCOC(=O)C1=NN=C(Cl)C=C1Cl.CN1C=NC2=C(N)C=CC=C21.Cl </SMILES> as the reactants and reagents, tell me the potential product. | <SMILES> CCOC(=O)C1=NN=C(Cl)C=C1NC1=CC=CC2=C1N=CN2C </SMILES> | CC#N.CCN(C(C)C)C(C)C.CCOC(=O)C1=NN=C(Cl)C=C1Cl.CN1C=NC2=C(N)C=CC=C21.Cl | CCOC(=O)C1=NN=C(Cl)C=C1NC1=CC=CC2=C1N=CN2C | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.277370.None | A chemical reaction has started with the substance(s) <SMILES> CC1(C)OB(C2=CC=C(NC(=O)C3=C(F)C=CC=C3F)C=C2)OC1(C)C.CN1CCCC1=O.COC(=O)C1=CC=C(C)C(Br)=C1.O=C([O-])[O-].[K+] </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> COC(=O)C1=CC=C(C)C(C2=CC=C(NC(=O)C3=C(F)C=CC=C3F)C=C2)=C1 </SMILES> . | CC1(C)OB(C2=CC=C(NC(=O)C3=C(F)C=CC=C3F)C=C2)OC1(C)C.CN1CCCC1=O.COC(=O)C1=CC=C(C)C(Br)=C1.O=C([O-])[O-].[K+] | COC(=O)C1=CC=C(C)C(C2=CC=C(NC(=O)C3=C(F)C=CC=C3F)C=C2)=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.846335.None | Predict the product of a chemical reaction with <SMILES> O=C(O)C1=CC=C([N+](=O)[O-])C(F)=C1.O=S(Cl)Cl </SMILES> as the reactants and reagents. | <SMILES> O=C(Cl)C1=CC=C([N+](=O)[O-])C(F)=C1 </SMILES> | O=C(O)C1=CC=C([N+](=O)[O-])C(F)=C1.O=S(Cl)Cl | O=C(Cl)C1=CC=C([N+](=O)[O-])C(F)=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.45561.None | <SMILES> CC(C)(C)C(=O)CBr.CCO.NC(N)=S.O=C([O-])O.[Na+] </SMILES> Given the above reactants and reagents, what could be a probable product of their reaction? | A probable product could be <SMILES> CC(C)(C)C1=CSC(N)=N1 </SMILES> . | CC(C)(C)C(=O)CBr.CCO.NC(N)=S.O=C([O-])O.[Na+] | CC(C)(C)C1=CSC(N)=N1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.765179.None | Predict a possible product from the listed reactants and reagents. <SMILES> CC(C)N=C(NC(C)C)OC(C)C.CC1(C)[C@H](/C=C2\CCOC2=O)[C@H]1C(=O)O.CCO </SMILES> | <SMILES> CC(C)OC(=O)[C@@H]1[C@@H](/C=C2\CCOC2=O)C1(C)C </SMILES> | CC(C)N=C(NC(C)C)OC(C)C.CC1(C)[C@H](/C=C2\CCOC2=O)[C@H]1C(=O)O.CCO | CC(C)OC(=O)[C@@H]1[C@@H](/C=C2\CCOC2=O)C1(C)C | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.481741.None | Using <SMILES> C1=CC=C2C=CC=CC2=C1.CC1=CC=C(S(=O)(=O)NC2CCCC2NC(=O)OC(C)(C)C)C=C1.COCCOC.[LiH] </SMILES> as the reactants and reagents, tell me the potential product. | <SMILES> CC(C)(C)OC(=O)NC1CCCC1N </SMILES> | C1=CC=C2C=CC=CC2=C1.CC1=CC=C(S(=O)(=O)NC2CCCC2NC(=O)OC(C)(C)C)C=C1.COCCOC.[LiH] | CC(C)(C)OC(=O)NC1CCCC1N | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.562275.None | Using <SMILES> CC(C)(C)OC(=O)N1CCNCC1.CC1=CC=CC=C1.CN(C)C=O.ClC1=CC(Cl)=C(Cl)N=C1Cl.O.O=C([O-])[O-].[K+] </SMILES> as the reactants and reagents, tell me the potential product. | <SMILES> CC(C)(C)OC(=O)N1CCN(C2=NC(Cl)=C(Cl)C=C2Cl)CC1 </SMILES> | CC(C)(C)OC(=O)N1CCNCC1.CC1=CC=CC=C1.CN(C)C=O.ClC1=CC(Cl)=C(Cl)N=C1Cl.O.O=C([O-])[O-].[K+] | CC(C)(C)OC(=O)N1CCN(C2=NC(Cl)=C(Cl)C=C2Cl)CC1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.130889.None | <SMILES> BrCCC1OCCCO1.CC#N.CCOC(C)=O.O=C([O-])[O-].O=CC1=CC=C(O)C=C1.[I-].[K+] </SMILES> Given the above reactants and reagents, what could be a probable product of their reaction? | A probable product could be <SMILES> O=CC1=CC=C(OCCC2OCCO2)C=C1 </SMILES> . | BrCCC1OCCCO1.CC#N.CCOC(C)=O.O=C([O-])[O-].O=CC1=CC=C(O)C=C1.[I-].[K+] | O=CC1=CC=C(OCCC2OCCO2)C=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.967096.None | Using <SMILES> CCCCCC(=O)C=CC1=CC=C(CCCCCCCC(=O)OC)O1.CO.[H][H].[Ni] </SMILES> as the reactants and reagents, tell me the potential product. | <SMILES> CCCCCC(=O)CCC1=CC=C(CCCCCCCC(=O)OC)O1 </SMILES> | CCCCCC(=O)C=CC1=CC=C(CCCCCCCC(=O)OC)O1.CO.[H][H].[Ni] | CCCCCC(=O)CCC1=CC=C(CCCCCCCC(=O)OC)O1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.396922.None | A chemical reaction has started with the substance(s) <SMILES> CCC(=O)N(C(=O)CC)C1=C(C2=CC=CC(C)=C2)C=CC=C1S(=O)(=O)O.CCN(CC)CC.CCOCC.ClCCl.ClP(Cl)(Cl)(Cl)Cl </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> CCC(=O)N(C(=O)CC)C1=C(C2=CC=CC(C)=C2)C=CC=C1S(=O)(=O)Cl </SMILES> . | CCC(=O)N(C(=O)CC)C1=C(C2=CC=CC(C)=C2)C=CC=C1S(=O)(=O)O.CCN(CC)CC.CCOCC.ClCCl.ClP(Cl)(Cl)(Cl)Cl | CCC(=O)N(C(=O)CC)C1=C(C2=CC=CC(C)=C2)C=CC=C1S(=O)(=O)Cl | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.82627.None | <SMILES> C=CC1CC1(C(=O)O)C1CC(OC2=CC(C3=CC=CC=C3)=CC3=CC(OC)=CC=C23)CN1C(C(=O)NC1C2=CC=CC=C2CC1O)C(C)(C)C.C=CC1CC1(NC(=O)C1CC(OC2=CC(C3=CC=CC=C3)=NC3=CC(OC)=CC=C23)CN1)C(=O)OCC.C=CC1CC1(NC(=O)C1CC(OC2=CC(C3=CC=CC=C3)=NC3=CC(OC)=CC=C23)CN1C(=O)NC(C(=O)NC1C2=CC=CC=C2CC1O)C(C)(C)C)C(=O)OCC </SMILES> Considering the given ... | <SMILES> C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](OC2=CC(C3=CC=CC=C3)=NC3=CC(OC)=CC=C23)CN1C(=O)N[C@H](C(=O)N[C@H](C(=O)NC)C1CCCCC1)C(C)(C)C)C(=O)O </SMILES> | C=CC1CC1(C(=O)O)C1CC(OC2=CC(C3=CC=CC=C3)=CC3=CC(OC)=CC=C23)CN1C(C(=O)NC1C2=CC=CC=C2CC1O)C(C)(C)C.C=CC1CC1(NC(=O)C1CC(OC2=CC(C3=CC=CC=C3)=NC3=CC(OC)=CC=C23)CN1)C(=O)OCC.C=CC1CC1(NC(=O)C1CC(OC2=CC(C3=CC=CC=C3)=NC3=CC(OC)=CC=C23)CN1C(=O)NC(C(=O)NC1C2=CC=CC=C2CC1O)C(C)(C)C)C(=O)OCC | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](OC2=CC(C3=CC=CC=C3)=NC3=CC(OC)=CC=C23)CN1C(=O)N[C@H](C(=O)N[C@H](C(=O)NC)C1CCCCC1)C(C)(C)C)C(=O)O | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.578856.None | <SMILES> CCN1C=C(N2C(=O)N(C)C3=CN=C4C=CC(Br)=CC4=C32)C(C)=N1.CCOC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1OCC </SMILES> Given the above reactants and reagents, what could be a probable product of their reaction? | A probable product could be <SMILES> CCOC1=CC=C(C2=CC=C3N=CC4=C(C3=C2)N(C2=CN(CC)N=C2C)C(=O)N4C)C=C1OCC </SMILES> . | CCN1C=C(N2C(=O)N(C)C3=CN=C4C=CC(Br)=CC4=C32)C(C)=N1.CCOC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1OCC | CCOC1=CC=C(C2=CC=C3N=CC4=C(C3=C2)N(C2=CN(CC)N=C2C)C(=O)N4C)C=C1OCC | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.307419.None | Using <SMILES> C1COCCO1.CC(=O)O.CC(=O)OO.CCN1CCN(C(=O)NC(C(=O)NC2(SC)C(=O)NC2C)C2=CC=CC=C2)C(=O)C1=O </SMILES> as the reactants and reagents, tell me the potential product. | <SMILES> CCN1CCN(C(=O)NC(C(=O)NC2(S(C)=O)C(=O)NC2C)C2=CC=CC=C2)C(=O)C1=O </SMILES> | C1COCCO1.CC(=O)O.CC(=O)OO.CCN1CCN(C(=O)NC(C(=O)NC2(SC)C(=O)NC2C)C2=CC=CC=C2)C(=O)C1=O | CCN1CCN(C(=O)NC(C(=O)NC2(S(C)=O)C(=O)NC2C)C2=CC=CC=C2)C(=O)C1=O | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.869693.None | <SMILES> C1=CC=C(P(C2=CC=CC=C2)[C-]2C=CC=C2)C=C1.CC(=O)NC1=CC=CC(B(O)O)=C1.CN(C)C=O.Cl.Cl[Pd]Cl.O=C(N[C@H]1CN2CCC1CC2)C1=CC2=CC=CC(Br)=C2S1.O=C([O-])[O-].[Fe+2].[Na+].[OH-] </SMILES> Considering the given starting materials, what might be the resulting product in a chemical reaction? | <SMILES> CC(=O)NC1=CC=CC(C2=C3SC(C(=O)N[C@H]4CN5CCC4CC5)=CC3=CC=C2)=C1 </SMILES> | C1=CC=C(P(C2=CC=CC=C2)[C-]2C=CC=C2)C=C1.CC(=O)NC1=CC=CC(B(O)O)=C1.CN(C)C=O.Cl.Cl[Pd]Cl.O=C(N[C@H]1CN2CCC1CC2)C1=CC2=CC=CC(Br)=C2S1.O=C([O-])[O-].[Fe+2].[Na+].[OH-] | CC(=O)NC1=CC=CC(C2=C3SC(C(=O)N[C@H]4CN5CCC4CC5)=CC3=CC=C2)=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.659176.None | A chemical reaction has started with the substance(s) <SMILES> C1=CC=C([PH](C2=CC=CC=C2)(C2=CC=CC=C2)[Pd]([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)[PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1=CC=CC=C1.CCCCCCB(O)O.COC(=O)C1=CC=CC2=CC(OS(=O)(=O)C(F)(F)F)=CN=C12.O=C([O-])[... | A probable product: <SMILES> CCCCCCC1=CN=C2C(C(=O)OC)=CC=CC2=C1 </SMILES> . | C1=CC=C([PH](C2=CC=CC=C2)(C2=CC=CC=C2)[Pd]([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)([PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)[PH](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.CC1=CC=CC=C1.CCCCCCB(O)O.COC(=O)C1=CC=CC2=CC(OS(=O)(=O)C(F)(F)F)=CN=C12.O=C([O-])[O-].[Cs+] | CCCCCCC1=CN=C2C(C(=O)OC)=CC=CC2=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.648564.None | Propose a potential product given these reactants and reagents. <SMILES> BrCCOC1=NOC(C2=CC=CC=C2)=C1.C1CCNCC1.CO </SMILES> | <SMILES> C1=CC=C(C2=CC(OCCN3CCCCC3)=NO2)C=C1 </SMILES> | BrCCOC1=NOC(C2=CC=CC=C2)=C1.C1CCNCC1.CO | C1=CC=C(C2=CC(OCCN3CCCCC3)=NO2)C=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.928463.None | Predict the product of a chemical reaction with <SMILES> CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C(F)(F)F)C(F)(F)F.C[C@H](N)C(=O)[C@H]1C(=O)N(C)C(N)CC2=C1C=CCC2.Cl </SMILES> as the reactants and reagents. | <SMILES> C[C@H](NC(=O)[C@@H](N)C(C(F)(F)F)C(F)(F)F)C(=O)[C@H]1C(=O)N(C)C(N)CC2=C1C=CCC2 </SMILES> | CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C(F)(F)F)C(F)(F)F.C[C@H](N)C(=O)[C@H]1C(=O)N(C)C(N)CC2=C1C=CCC2.Cl | C[C@H](NC(=O)[C@@H](N)C(C(F)(F)F)C(F)(F)F)C(=O)[C@H]1C(=O)N(C)C(N)CC2=C1C=CCC2 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.903565.None | A chemical reaction has started with the substance(s) <SMILES> C1=C[N-]C=N1.CCCC1=CC2=C(N=C3C=CC(C(=O)O)=CN3C2=O)S1.CCN(CC)CC.CN(C)C=O.C[Si](C)(C)Cl.NC1=NN=NN1.O.O=C(N1C=CN=C1)N1C=CN=C1 </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> CCCC1=CC2=C(N=C3C=CC(C(=O)NC4=NN=NN4)=CN3C2=O)S1 </SMILES> . | C1=C[N-]C=N1.CCCC1=CC2=C(N=C3C=CC(C(=O)O)=CN3C2=O)S1.CCN(CC)CC.CN(C)C=O.C[Si](C)(C)Cl.NC1=NN=NN1.O.O=C(N1C=CN=C1)N1C=CN=C1 | CCCC1=CC2=C(N=C3C=CC(C(=O)NC4=NN=NN4)=CN3C2=O)S1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.379201.None | Given the following reactants and reagents, please provide a possible product. <SMILES> CO.NC1=CC=CC=C1.O=CC1=CC2=C(C=C1O)CCCO2 </SMILES> | <SMILES> OC1=CC2=C(C=C1CNC1=CC=CC=C1)OCCC2 </SMILES> | CO.NC1=CC=CC=C1.O=CC1=CC2=C(C=C1O)CCCO2 | OC1=CC2=C(C=C1CNC1=CC=CC=C1)OCCC2 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.605397.None | Given the following reactants and reagents, please provide a possible product. <SMILES> C1=CC=NC=C1.CC(C)(N)CN.ClC1=NC2=CC=CC=C2S1 </SMILES> | <SMILES> CC(C)(N)CNC1=NC2=CC=CC=C2S1 </SMILES> | C1=CC=NC=C1.CC(C)(N)CN.ClC1=NC2=CC=CC=C2S1 | CC(C)(N)CNC1=NC2=CC=CC=C2S1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.201629.None | Propose a potential product given these reactants and reagents. <SMILES> C=CCCC(O)CC(OCC)OCC.CI.CN(C)C=O.O.[Cl-].[H-].[NH4+].[Na+] </SMILES> | <SMILES> C=CCCC(CC(OCC)OCC)OC </SMILES> | C=CCCC(O)CC(OCC)OCC.CI.CN(C)C=O.O.[Cl-].[H-].[NH4+].[Na+] | C=CCCC(CC(OCC)OCC)OC | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.738797.None | Predict a possible product from the listed reactants and reagents. <SMILES> CCOC(C)=O.COC(=O)/C=C/CC(O)(C(F)(F)F)C(F)(F)F.[Pd] </SMILES> | <SMILES> COC(=O)CCCC(O)(C(F)(F)F)C(F)(F)F </SMILES> | CCOC(C)=O.COC(=O)/C=C/CC(O)(C(F)(F)F)C(F)(F)F.[Pd] | COC(=O)CCCC(O)(C(F)(F)F)C(F)(F)F | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.72933.None | Propose a potential product given these reactants and reagents. <SMILES> CS(=O)(=O)C1=CC=CC(N)=C1.Cl.O=C(O)C1=C2N=C(C3=CC=C(OC(F)(F)F)C=C3)C=C(C(F)(F)F)N2N=C1 </SMILES> | <SMILES> CS(=O)(=O)C1=CC=CC(NC(=O)C2=C3N=C(C4=CC=C(OC(F)(F)F)C=C4)C=C(C(F)(F)F)N3N=C2)=C1 </SMILES> | CS(=O)(=O)C1=CC=CC(N)=C1.Cl.O=C(O)C1=C2N=C(C3=CC=C(OC(F)(F)F)C=C3)C=C(C(F)(F)F)N2N=C1 | CS(=O)(=O)C1=CC=CC(NC(=O)C2=C3N=C(C4=CC=C(OC(F)(F)F)C=C4)C=C(C(F)(F)F)N3N=C2)=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.48050.None | Predict a possible product from the listed reactants and reagents. <SMILES> CC1=CC=C(N=C=O)C=C1.NC(=O)C1=C(C2=CC=C(N)C=C2)C2=CC=NC=C2N1 </SMILES> | <SMILES> CC1=CC=C(NC(=O)NC2=CC=C(C3=C(C(N)=O)NC4=CN=CC=C34)C=C2)C=C1 </SMILES> | CC1=CC=C(N=C=O)C=C1.NC(=O)C1=C(C2=CC=C(N)C=C2)C2=CC=NC=C2N1 | CC1=CC=C(NC(=O)NC2=CC=C(C3=C(C(N)=O)NC4=CN=CC=C34)C=C2)C=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.693384.None | Based on the given reactants and reagents: <SMILES> CC(Cl)Cl.CCOC(C)=O.COC1=CC(N)=CC=C1OCC(C)(C)O.ClCCCl.O=C(O)C1=CC(SCCC2=CC=CC=C2)=CN1.ON1N=NC2=CC=CC=C21 </SMILES>, what product could potentially be produced? | The product can be <SMILES> COC1=CC(NC(=O)C2=CC(SCCC3=CC=CC=C3)=CN2)=CC=C1OCC(C)(C)O </SMILES> . | CC(Cl)Cl.CCOC(C)=O.COC1=CC(N)=CC=C1OCC(C)(C)O.ClCCCl.O=C(O)C1=CC(SCCC2=CC=CC=C2)=CN1.ON1N=NC2=CC=CC=C21 | COC1=CC(NC(=O)C2=CC(SCCC3=CC=CC=C3)=CN2)=CC=C1OCC(C)(C)O | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.238968.None | Consider that for a chemical reaction, if <SMILES> CCCBr.CN(C)C=O.COC1=CC(C=O)=CC(Br)=C1O.O=C([O-])[O-].[K+] </SMILES> is/are the reactants and reagents, what can be the product? | <SMILES> CCCOC1=C(Br)C=C(C=O)C=C1OC </SMILES> | CCCBr.CN(C)C=O.COC1=CC(C=O)=CC(Br)=C1O.O=C([O-])[O-].[K+] | CCCOC1=C(Br)C=C(C=O)C=C1OC | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.810620.None | Please provide a feasible product that could be formed using these reactants and reagents: <SMILES> C1CCOC1.CCOC(=O)C1=CC(Cl)=C(N2N=C(C)C=[N+]2[O-])C(Cl)=C1.C[O+](C)C.C[S-].F[B-](F)(F)F.[Na+] </SMILES> . | <SMILES> CCOC(=O)C1=CC(Cl)=C(N2N=CC(C)=N2)C(Cl)=C1 </SMILES> | C1CCOC1.CCOC(=O)C1=CC(Cl)=C(N2N=C(C)C=[N+]2[O-])C(Cl)=C1.C[O+](C)C.C[S-].F[B-](F)(F)F.[Na+] | CCOC(=O)C1=CC(Cl)=C(N2N=CC(C)=N2)C(Cl)=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.303445.None | <SMILES> C.C1CCOC1.CCO.CCOC(=O)C1=CN(CC2=NC(C3=CC=C([N+](=O)[O-])C=C3)=CS2)N=C1.[Pd] </SMILES> Considering the given starting materials, what might be the resulting product in a chemical reaction? | <SMILES> CCOC(=O)C1=CN(CC2=NC(C3=CC=C(N)C=C3)=CS2)N=C1 </SMILES> | C.C1CCOC1.CCO.CCOC(=O)C1=CN(CC2=NC(C3=CC=C([N+](=O)[O-])C=C3)=CS2)N=C1.[Pd] | CCOC(=O)C1=CN(CC2=NC(C3=CC=C(N)C=C3)=CS2)N=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.83667.None | <SMILES> CC(C)(C)OC(=O)N1CC(=O)C1.CC(C)(C)[O-].CCOCC.C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[Br-].[K+] </SMILES> Based on the reactants and reagents given above, suggest a possible product. | A possible product can be <SMILES> C=C1CN(C(=O)OC(C)(C)C)C1 </SMILES> . | CC(C)(C)OC(=O)N1CC(=O)C1.CC(C)(C)[O-].CCOCC.C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[Br-].[K+] | C=C1CN(C(=O)OC(C)(C)C)C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.896865.None | A chemical reaction has started with the substance(s) <SMILES> CC(C(=O)O)C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)C(F)=C1.CO.O=S(=O)(O)O </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> COC(=O)C(C)C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)C(F)=C1 </SMILES> . | CC(C(=O)O)C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)C(F)=C1.CO.O=S(=O)(O)O | COC(=O)C(C)C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)C(F)=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.244098.None | Consider that for a chemical reaction, if <SMILES> C(=NC1CCCCC1)=NC1CCCCC1.CC#N.CCOC(=O)CC1=CC=C(N)C=C1.ClCCl.O=C(O)[C@H](CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=C(Cl)C=C1 </SMILES> is/are the reactants and reagents, what can be the product? | <SMILES> CCOC(=O)CC1=CC=C(NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NS(=O)(=O)C2=CC=C(Cl)C=C2)C=C1 </SMILES> | C(=NC1CCCCC1)=NC1CCCCC1.CC#N.CCOC(=O)CC1=CC=C(N)C=C1.ClCCl.O=C(O)[C@H](CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=C(Cl)C=C1 | CCOC(=O)CC1=CC=C(NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NS(=O)(=O)C2=CC=C(Cl)C=C2)C=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.908573.None | Consider that for a chemical reaction, if <SMILES> CC1=CC=CC=C1S(=O)(=O)Cl.CCCC1=NC2=CN=C3C=CC=CC3=C2N1CCCCO.ClC(Cl)Cl.ClCCl.[NH4+].[OH-] </SMILES> is/are the reactants and reagents, what can be the product? | <SMILES> CCCC1=NC2=C(N)N=C3C=CC=CC3=C2N1CCCCO </SMILES> | CC1=CC=CC=C1S(=O)(=O)Cl.CCCC1=NC2=CN=C3C=CC=CC3=C2N1CCCCO.ClC(Cl)Cl.ClCCl.[NH4+].[OH-] | CCCC1=NC2=C(N)N=C3C=CC=CC3=C2N1CCCCO | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.105907.None | Given the following reactants and reagents, please provide a possible product. <SMILES> CO.C[O-].N#CC(Br)C(Br)C1=CC=C(C2=CC=CC=C2)C=C1.[Na+] </SMILES> | <SMILES> COC(=CC#N)C1=CC=C(C2=CC=CC=C2)C=C1 </SMILES> | CO.C[O-].N#CC(Br)C(Br)C1=CC=C(C2=CC=CC=C2)C=C1.[Na+] | COC(=CC#N)C1=CC=C(C2=CC=CC=C2)C=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.398591.None | Using <SMILES> C1CCOC1.CC(C1=CC=C2OCCC(C)(C)C2=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.CO.O.O=CC1=CC=CC=C1.[Br-] </SMILES> as the reactants and reagents, tell me the potential product. | <SMILES> C/C(=C\C1=CC=CC=C1)C1=CC=C2OCCC(C)(C)C2=C1 </SMILES> | C1CCOC1.CC(C1=CC=C2OCCC(C)(C)C2=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.CO.O.O=CC1=CC=CC=C1.[Br-] | C/C(=C\C1=CC=CC=C1)C1=CC=C2OCCC(C)(C)C2=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.291476.None | Predict the product of a chemical reaction with <SMILES> C1=CC=C(C2=CC3=CC=CN=C3N=C2C2=CC=CC=C2)C=C1.CCO.N#N.[Pd] </SMILES> as the reactants and reagents. | <SMILES> C1=CC=C(C2=CC3=C(N=C2C2=CC=CC=C2)NCCC3)C=C1 </SMILES> | C1=CC=C(C2=CC3=CC=CN=C3N=C2C2=CC=CC=C2)C=C1.CCO.N#N.[Pd] | C1=CC=C(C2=CC3=C(N=C2C2=CC=CC=C2)NCCC3)C=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.475435.None | Based on the given reactants and reagents: <SMILES> CC(C)(C)ON=O.CC1=CC=CC([N+](=O)[O-])=C1N.CSSC.[Cu] </SMILES>, what product could potentially be produced? | The product can be <SMILES> CSC1=C(C)C=CC=C1[N+](=O)[O-] </SMILES> . | CC(C)(C)ON=O.CC1=CC=CC([N+](=O)[O-])=C1N.CSSC.[Cu] | CSC1=C(C)C=CC=C1[N+](=O)[O-] | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.666563.None | Propose a potential product given these reactants and reagents. <SMILES> CCC1=CC=C(N2CCN(CC3=CC=C([N+](=O)[O-])C=C3)CC2)C=C1.[Cl-].[Ti+3] </SMILES> | <SMILES> CCC1=CC=C(N2CCN(CC3=CC=C(N)C=C3)CC2)C=C1 </SMILES> | CCC1=CC=C(N2CCN(CC3=CC=C([N+](=O)[O-])C=C3)CC2)C=C1.[Cl-].[Ti+3] | CCC1=CC=C(N2CCN(CC3=CC=C(N)C=C3)CC2)C=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.874628.None | Predict a possible product from the listed reactants and reagents. <SMILES> Br[Mg]C1=CC=CC=C1.C1CCOC1.COC1=CC(C=O)=C([N+](=O)[O-])C=C1Br </SMILES> | <SMILES> COC1=CC(C(O)C2=CC=CC=C2)=C([N+](=O)[O-])C=C1Br </SMILES> | Br[Mg]C1=CC=CC=C1.C1CCOC1.COC1=CC(C=O)=C([N+](=O)[O-])C=C1Br | COC1=CC(C(O)C2=CC=CC=C2)=C([N+](=O)[O-])C=C1Br | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.382554.None | Predict the product of a chemical reaction with <SMILES> C1=CC=C(C2=CC=CC=C2P(C2CCCCC2)C2CCCCC2)C=C1.C1COCCO1.CC(=O)[O-].COC(=O)C1=CC=C(C2CC2)C(Cl)=N1.NC1=CC=C(Cl)C=C1Cl.O=C([O-])[O-].[K+].[Pd+2] </SMILES> as the reactants and reagents. | <SMILES> COC(=O)C1=CC=C(C2CC2)C(NC2=CC=C(Cl)C=C2Cl)=N1 </SMILES> | C1=CC=C(C2=CC=CC=C2P(C2CCCCC2)C2CCCCC2)C=C1.C1COCCO1.CC(=O)[O-].COC(=O)C1=CC=C(C2CC2)C(Cl)=N1.NC1=CC=C(Cl)C=C1Cl.O=C([O-])[O-].[K+].[Pd+2] | COC(=O)C1=CC=C(C2CC2)C(NC2=CC=C(Cl)C=C2Cl)=N1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.170555.None | Using <SMILES> CCN(CC)CC.CS(=O)(=O)Cl.ClCCl.OCC1COC1 </SMILES> as the reactants and reagents, tell me the potential product. | <SMILES> CS(=O)(=O)OCC1COC1 </SMILES> | CCN(CC)CC.CS(=O)(=O)Cl.ClCCl.OCC1COC1 | CS(=O)(=O)OCC1COC1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.388162.None | <SMILES> CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.ClC(Cl)Cl.N#CC1=NNC=N1.O=[N+]([O-])C1=CC=C(OP(=O)([O-])OC2=CC=C([N+](=O)[O-])C=C2)C=C1 </SMILES> Considering the given starting materials, what might be the resulting product in a chemical reaction? | <SMILES> CC(=O)OC[C@H]1O[C@@H](N2C=NC(C#N)=N2)[C@H](OC(C)=O)[C@@H]1OC(C)=O </SMILES> | CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.ClC(Cl)Cl.N#CC1=NNC=N1.O=[N+]([O-])C1=CC=C(OP(=O)([O-])OC2=CC=C([N+](=O)[O-])C=C2)C=C1 | CC(=O)OC[C@H]1O[C@@H](N2C=NC(C#N)=N2)[C@H](OC(C)=O)[C@@H]1OC(C)=O | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.372528.None | A chemical reaction has started with the substance(s) <SMILES> CC(=O)OC1=CC=C(C2=COC3=C(C)C(OC(C)=O)=CC=C3C2=O)C=C1.CO.[Pd] </SMILES> as the reactants and reagents, what could be a probable product? | A probable product: <SMILES> CC(=O)OC1=CC=C(C2COC3=C(C=CC(OC(C)=O)=C3C)C2O)C=C1 </SMILES> . | CC(=O)OC1=CC=C(C2=COC3=C(C)C(OC(C)=O)=CC=C3C2=O)C=C1.CO.[Pd] | CC(=O)OC1=CC=C(C2COC3=C(C=CC(OC(C)=O)=C3C)C2O)C=C1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
forward_synthesis.train.219684.None | Propose a potential product given these reactants and reagents. <SMILES> CC(C)C(CS(=O)(=O)N1CCN(C2=CC=C(C3=CC=CO3)C=C2)CC1)C(=O)O.O=C(NO)C1(CS(=O)(=O)N2CCN(C3=CC=C(Br)C=C3)CC2)CCOCC1.OB(O)C1=CC=CO1 </SMILES> | <SMILES> O=C(NO)C1(CS(=O)(=O)N2CCN(C3=CC=C(C4=CC=CO4)C=C3)CC2)CCOCC1 </SMILES> | CC(C)C(CS(=O)(=O)N1CCN(C2=CC=C(C3=CC=CO3)C=C2)CC1)C(=O)O.O=C(NO)C1(CS(=O)(=O)N2CCN(C3=CC=C(Br)C=C3)CC2)CCOCC1.OB(O)C1=CC=CO1 | O=C(NO)C1(CS(=O)(=O)N2CCN(C3=CC=C(C4=CC=CO4)C=C3)CC2)CCOCC1 | train | forward_synthesis | <SMILES> | </SMILES> | <SMILES> | </SMILES> | null |
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