Chan-Lam dataset
Collection
8 items • Updated
_group_key stringclasses 8
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 8
values | input_base stringclasses 5
values | input_catalyst stringclasses 4
values | input_solvent stringclasses 4
values | _group_key_sampled stringclasses 10
values |
|---|---|---|---|---|---|---|---|---|---|---|
N#CCCCS(N)(=O)=O | COc1ccc(B(O)O)cc1.N#CCCCS(N)(=O)=O | CCN(C(C)C)C(C)C.CN(C)CCN(C)C.[Cl-].[Cu+2].[OH-].CO | COc1ccc(NS(=O)(=O)CCCC#N)cc1 | COc1ccc(N(c2ccc(OC)cc2)S(=O)(=O)CCCC#N)cc1 | COc1ccc(B(O)O)cc1 | N#CCCCS(N)(=O)=O | 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 | COc1ccc(B(O)O)cc1.N#CCCCS(N)(=O)=O |
CCOC(=O)c1ccccc1S(N)(=O)=O | COc1ccc(B(O)O)cc1.CCOC(=O)c1ccccc1S(N)(=O)=O | O=C([O-])[O-].[K+].CC(=O)[O-].[Cu+2].CCOC(C)=O | CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC)cc1 | CCOC(=O)c1ccccc1S(=O)(=O)N(c1ccc(OC)cc1)c1ccc(OC)cc1 | COc1ccc(B(O)O)cc1 | CCOC(=O)c1ccccc1S(N)(=O)=O | O=C([O-])[O-].[K+].[K+] | CC(=O)[O-].CC(=O)[O-].[Cu+2] | CCOC(C)=O | CCOC(=O)c1ccccc1S(N)(=O)=O.COc1ccc(B(O)O)cc1 |
CCOC(=O)c1ccccc1S(N)(=O)=O | OB(O)c1ccc(C(F)(F)F)cc1.CCOC(=O)c1ccccc1S(N)(=O)=O | CN(C)c1ccncc1.O=S(=O)([O-])C(F)(F)F.[Cu+2].CC#N | 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 | CN(C)c1ccncc1 | O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2] | CC#N | 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 | O=C([O-])[O-].[K+].CC#N.F[P-](F)(F)(F)(F)F.[Cu+].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 | O=C([O-])[O-].[K+].[K+] | CC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.[Cu+] | 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.CC#N.F[P-](F)(F)(F)(F)F.[Cu+].ClCCCl | 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 | CC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.[Cu+] | ClCCCl | COC(=O)c1cc(Br)cc(S(N)(=O)=O)c1.OB(O)c1ccc(C(F)(F)F)cc1 |
COc1cccc2c(S(N)(=O)=O)cccc12 | COc1ccc(B(O)O)cc1.COc1cccc2c(S(N)(=O)=O)cccc12 | O=P([O-])([O-])[O-].[K+].O=S(=O)([O-])C(F)(F)F.[Cu+2].CO | COc1ccc(NS(=O)(=O)c2cccc3c(OC)cccc23)cc1 | COc1ccc(N(c2ccc(OC)cc2)S(=O)(=O)c2cccc3c(OC)cccc23)cc1 | COc1ccc(B(O)O)cc1 | COc1cccc2c(S(N)(=O)=O)cccc12 | O=P([O-])([O-])[O-].[K+].[K+].[K+] | O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2] | CO | COc1ccc(B(O)O)cc1.COc1cccc2c(S(N)(=O)=O)cccc12 |
COCCOc1ccccc1S(N)(=O)=O | COc1ccc(B(O)O)cc1.COCCOc1ccccc1S(N)(=O)=O | CCN(CC)CC.CC#N.F[P-](F)(F)(F)(F)F.[Cu+].ClCCCl | 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 | CCN(CC)CC | CC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.[Cu+] | ClCCCl | COCCOc1ccccc1S(N)(=O)=O.COc1ccc(B(O)O)cc1 |
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | COc1ccc(B(O)O)cc1.NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | O=C([O-])[O-].[K+].CN(C)CCN(C)C.[Cl-].[Cu+2].[OH-].ClCCCl | 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 | O=C([O-])[O-].[K+].[K+] | CN(C)CCN(C)C.CN(C)CCN(C)C.[Cl-].[Cl-].[Cu+2].[Cu+2].[OH-].[OH-] | ClCCCl | COc1ccc(B(O)O)cc1.NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 |
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | OB(O)c1ccc(C(F)(F)F)cc1.Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | CC(=O)[O-].[Cu+2].CC#N | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)N(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)cc2)cc1 | OB(O)c1ccc(C(F)(F)F)cc1 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | null | CC(=O)[O-].CC(=O)[O-].[Cu+2] | CC#N | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.OB(O)c1ccc(C(F)(F)F)cc1 |
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | COc1ccc(B(O)O)cc1.Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | CCN(CC)CC.O=S(=O)([O-])C(F)(F)F.[Cu+2].CO | COc1ccc(NS(=O)(=O)c2ccc(-n3nc(C(F)(F)F)cc3-c3ccc(C)cc3)cc2)cc1 | COc1ccc(N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(-n3nc(C(F)(F)F)cc3-c3ccc(C)cc3)cc2)cc1 | COc1ccc(B(O)O)cc1 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | CCN(CC)CC | O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2] | CO | COc1ccc(B(O)O)cc1.Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 |
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