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 7
values | input_catalyst stringclasses 3
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 | O=C([O-])[O-].[K+].O=S(=O)([O-])C(F)(F)F.[Cu+2].ClCCCl | 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 | O=C([O-])[O-].[K+].[K+] | O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2] | ClCCCl | 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-].[Na+].CC(=O)[O-].[Cu+2].ClCCCl | 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-].[Na+].[Na+] | CC(=O)[O-].CC(=O)[O-].[Cu+2] | ClCCCl | CCOC(=O)c1ccccc1S(N)(=O)=O.COc1ccc(B(O)O)cc1 |
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 | CC(C)(C)[O-].[K+].CC(=O)[O-].[Cu+2].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 | CC(C)(C)[O-].[K+] | CC(=O)[O-].CC(=O)[O-].[Cu+2] | ClCCCl | 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 | CCN(C(C)C)C(C)C.O=S(=O)([O-])C(F)(F)F.[Cu+2].CC#N | 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 | CCN(C(C)C)C(C)C | O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2] | 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 | CCN(CC)CC.CC#N.F[P-](F)(F)(F)(F)F.[Cu+].CO | 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 | CCN(CC)CC | CC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.[Cu+] | CO | CCOc1ccc(S(N)(=O)=O)cc1OCC.COc1ccc(B(O)O)cc1 |
NS(=O)(=O)CCc1ccccc1 | COc1ccc(B(O)O)cc1.NS(=O)(=O)CCc1ccccc1 | NC(N)=O.CC(=O)[O-].[Cu+2].ClCCCl | COc1ccc(NS(=O)(=O)CCc2ccccc2)cc1 | COc1ccc(N(c2ccc(OC)cc2)S(=O)(=O)CCc2ccccc2)cc1 | COc1ccc(B(O)O)cc1 | NS(=O)(=O)CCc1ccccc1 | NC(N)=O | CC(=O)[O-].CC(=O)[O-].[Cu+2] | ClCCCl | COc1ccc(B(O)O)cc1.NS(=O)(=O)CCc1ccccc1 |
COC(=O)c1oc(S(N)(=O)=O)cc1C | OB(O)c1ccc(C(F)(F)F)cc1.COC(=O)c1oc(S(N)(=O)=O)cc1C | O=P([O-])([O-])[O-].[K+].CC#N.F[P-](F)(F)(F)(F)F.[Cu+] | COC(=O)c1oc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C | COC(=O)c1oc(S(=O)(=O)N(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1C | OB(O)c1ccc(C(F)(F)F)cc1 | COC(=O)c1oc(S(N)(=O)=O)cc1C | O=P([O-])([O-])[O-].[K+].[K+].[K+] | CC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.[Cu+] | CC#N | COC(=O)c1oc(S(N)(=O)=O)cc1C.OB(O)c1ccc(C(F)(F)F)cc1 |
COC(=O)c1oc(S(N)(=O)=O)cc1C | COc1ccc(B(O)O)cc1.COC(=O)c1oc(S(N)(=O)=O)cc1C | CCN(C(C)C)C(C)C.CC(=O)[O-].[Cu+2].ClCCCl | COC(=O)c1oc(S(=O)(=O)Nc2ccc(OC)cc2)cc1C | COC(=O)c1oc(S(=O)(=O)N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1C | COc1ccc(B(O)O)cc1 | COC(=O)c1oc(S(N)(=O)=O)cc1C | CCN(C(C)C)C(C)C | CC(=O)[O-].CC(=O)[O-].[Cu+2] | ClCCCl | COC(=O)c1oc(S(N)(=O)=O)cc1C.COc1ccc(B(O)O)cc1 |
NS(=O)(=O)c1ccc2c(c1)CCC2 | COc1ccc(B(O)O)cc1.NS(=O)(=O)c1ccc2c(c1)CCC2 | O=S(=O)([O-])C(F)(F)F.[Cu+2].CCOC(C)=O | COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1 | COc1ccc(N(c2ccc(OC)cc2)S(=O)(=O)c2ccc3c(c2)CCC3)cc1 | COc1ccc(B(O)O)cc1 | NS(=O)(=O)c1ccc2c(c1)CCC2 | null | O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2] | CCOC(C)=O | COc1ccc(B(O)O)cc1.NS(=O)(=O)c1ccc2c(c1)CCC2 |
Cc1cc(CS(N)(=O)=O)no1 | COc1ccc(B(O)O)cc1.Cc1cc(CS(N)(=O)=O)no1 | CCN(CC)CC.O=S(=O)([O-])C(F)(F)F.[Cu+2].CCOC(C)=O | COc1ccc(NS(=O)(=O)Cc2cc(C)on2)cc1 | COc1ccc(N(c2ccc(OC)cc2)S(=O)(=O)Cc2cc(C)on2)cc1 | COc1ccc(B(O)O)cc1 | Cc1cc(CS(N)(=O)=O)no1 | CCN(CC)CC | O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2] | CCOC(C)=O | COc1ccc(B(O)O)cc1.Cc1cc(CS(N)(=O)=O)no1 |
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