Chan-Lam dataset
Collection
8 items • Updated
_group_key stringclasses 9
values | input_reactants stringclasses 10
values | input_reagents stringclasses 10
values | product_1_canonical_smiles stringclasses 10
values | product_2_canonical_smiles stringclasses 10
values | input_boronic_acid stringclasses 2
values | input_sulfonamide stringclasses 9
values | input_base stringclasses 4
values | input_catalyst stringclasses 3
values | input_solvent stringclasses 4
values | _group_key_sampled stringclasses 10
values |
|---|---|---|---|---|---|---|---|---|---|---|
CCOC(=O)c1ccccc1S(N)(=O)=O | OB(O)c1ccc(C(F)(F)F)cc1.CCOC(=O)c1ccccc1S(N)(=O)=O | O=C([O-])[O-].[K+].CC#N.F[P-](F)(F)(F)(F)F.[Cu+].CCOC(C)=O | CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 | CCOC(=O)c1ccccc1S(=O)(=O)N(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 | OB(O)c1ccc(C(F)(F)F)cc1 | CCOC(=O)c1ccccc1S(N)(=O)=O | O=C([O-])[O-].[K+].[K+] | CC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.[Cu+] | CCOC(C)=O | CCOC(=O)c1ccccc1S(N)(=O)=O.OB(O)c1ccc(C(F)(F)F)cc1 |
NS(=O)(=O)c1cc(Cl)c(F)cc1Cl | COc1ccc(B(O)O)cc1.NS(=O)(=O)c1cc(Cl)c(F)cc1Cl | CCN(CC)CC.CN(C)CCN(C)C.[Cl-].[Cu+2].[OH-].CO | COc1ccc(NS(=O)(=O)c2cc(Cl)c(F)cc2Cl)cc1 | COc1ccc(N(c2ccc(OC)cc2)S(=O)(=O)c2cc(Cl)c(F)cc2Cl)cc1 | COc1ccc(B(O)O)cc1 | NS(=O)(=O)c1cc(Cl)c(F)cc1Cl | CCN(CC)CC | CN(C)CCN(C)C.CN(C)CCN(C)C.[Cl-].[Cl-].[Cu+2].[Cu+2].[OH-].[OH-] | CO | COc1ccc(B(O)O)cc1.NS(=O)(=O)c1cc(Cl)c(F)cc1Cl |
COC(=O)c1cc(Br)cc(S(N)(=O)=O)c1 | OB(O)c1ccc(C(F)(F)F)cc1.COC(=O)c1cc(Br)cc(S(N)(=O)=O)c1 | CCN(C(C)C)C(C)C.CN(C)CCN(C)C.[Cl-].[Cu+2].[OH-].CO | COC(=O)c1cc(Br)cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1 | COC(=O)c1cc(Br)cc(S(=O)(=O)N(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c1 | OB(O)c1ccc(C(F)(F)F)cc1 | COC(=O)c1cc(Br)cc(S(N)(=O)=O)c1 | CCN(C(C)C)C(C)C | CN(C)CCN(C)C.CN(C)CCN(C)C.[Cl-].[Cl-].[Cu+2].[Cu+2].[OH-].[OH-] | CO | COC(=O)c1cc(Br)cc(S(N)(=O)=O)c1.OB(O)c1ccc(C(F)(F)F)cc1 |
NS(=O)(=O)c1cccc(F)n1 | COc1ccc(B(O)O)cc1.NS(=O)(=O)c1cccc(F)n1 | CC#N.F[P-](F)(F)(F)(F)F.[Cu+] | COc1ccc(NS(=O)(=O)c2cccc(F)n2)cc1 | COc1ccc(N(c2ccc(OC)cc2)S(=O)(=O)c2cccc(F)n2)cc1 | COc1ccc(B(O)O)cc1 | NS(=O)(=O)c1cccc(F)n1 | null | CC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.[Cu+] | CC#N | COc1ccc(B(O)O)cc1.NS(=O)(=O)c1cccc(F)n1 |
CCOc1ccc(S(N)(=O)=O)cc1OCC | COc1ccc(B(O)O)cc1.CCOc1ccc(S(N)(=O)=O)cc1OCC | O=C([O-])[O-].[K+].CC#N.F[P-](F)(F)(F)(F)F.[Cu+].ClCCCl | CCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1OCC | CCOc1ccc(S(=O)(=O)N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1OCC | COc1ccc(B(O)O)cc1 | CCOc1ccc(S(N)(=O)=O)cc1OCC | O=C([O-])[O-].[K+].[K+] | CC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.[Cu+] | ClCCCl | CCOc1ccc(S(N)(=O)=O)cc1OCC.COc1ccc(B(O)O)cc1 |
COCCOc1ccccc1S(N)(=O)=O | COc1ccc(B(O)O)cc1.COCCOc1ccccc1S(N)(=O)=O | CN(C)c1ccncc1.CN(C)CCN(C)C.[Cl-].[Cu+2].[OH-].CO | COCCOc1ccccc1S(=O)(=O)Nc1ccc(OC)cc1 | COCCOc1ccccc1S(=O)(=O)N(c1ccc(OC)cc1)c1ccc(OC)cc1 | COc1ccc(B(O)O)cc1 | COCCOc1ccccc1S(N)(=O)=O | CN(C)c1ccncc1 | CN(C)CCN(C)C.CN(C)CCN(C)C.[Cl-].[Cl-].[Cu+2].[Cu+2].[OH-].[OH-] | CO | COCCOc1ccccc1S(N)(=O)=O.COc1ccc(B(O)O)cc1 |
COCCOc1ccccc1S(N)(=O)=O | OB(O)c1ccc(C(F)(F)F)cc1.COCCOc1ccccc1S(N)(=O)=O | CCN(CC)CC.CN(C)CCN(C)C.[Cl-].[Cu+2].[OH-].CCOC(C)=O | COCCOc1ccccc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 | COCCOc1ccccc1S(=O)(=O)N(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 | OB(O)c1ccc(C(F)(F)F)cc1 | COCCOc1ccccc1S(N)(=O)=O | CCN(CC)CC | CN(C)CCN(C)C.CN(C)CCN(C)C.[Cl-].[Cl-].[Cu+2].[Cu+2].[OH-].[OH-] | CCOC(C)=O | COCCOc1ccccc1S(N)(=O)=O.OB(O)c1ccc(C(F)(F)F)cc1 |
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | COc1ccc(B(O)O)cc1.NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | CC(=O)[O-].[Cu+2].CO | COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 | COc1ccc(N(c2ccc(OC)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 | COc1ccc(B(O)O)cc1 | NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | null | CC(=O)[O-].CC(=O)[O-].[Cu+2] | CO | COc1ccc(B(O)O)cc1.NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 |
CC(C)(C)OC(=O)N1CCC(S(N)(=O)=O)CC1 | COc1ccc(B(O)O)cc1.CC(C)(C)OC(=O)N1CCC(S(N)(=O)=O)CC1 | CCN(C(C)C)C(C)C.CC(=O)[O-].[Cu+2].CCOC(C)=O | COc1ccc(NS(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 | COc1ccc(N(c2ccc(OC)cc2)S(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 | COc1ccc(B(O)O)cc1 | CC(C)(C)OC(=O)N1CCC(S(N)(=O)=O)CC1 | CCN(C(C)C)C(C)C | CC(=O)[O-].CC(=O)[O-].[Cu+2] | CCOC(C)=O | CC(C)(C)OC(=O)N1CCC(S(N)(=O)=O)CC1.COc1ccc(B(O)O)cc1 |
NS(=O)(=O)Cc1cccc(C(F)(F)F)c1 | COc1ccc(B(O)O)cc1.NS(=O)(=O)Cc1cccc(C(F)(F)F)c1 | O=C([O-])[O-].[K+].CN(C)CCN(C)C.[Cl-].[Cu+2].[OH-].CCOC(C)=O | COc1ccc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)cc1 | COc1ccc(N(c2ccc(OC)cc2)S(=O)(=O)Cc2cccc(C(F)(F)F)c2)cc1 | COc1ccc(B(O)O)cc1 | NS(=O)(=O)Cc1cccc(C(F)(F)F)c1 | O=C([O-])[O-].[K+].[K+] | CN(C)CCN(C)C.CN(C)CCN(C)C.[Cl-].[Cl-].[Cu+2].[Cu+2].[OH-].[OH-] | CCOC(C)=O | COc1ccc(B(O)O)cc1.NS(=O)(=O)Cc1cccc(C(F)(F)F)c1 |
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