smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[ClH:1].CCOC(C)=O.[C:8]([C:11]1[CH:12]=[CH:13][C:14]([N:17]2[CH2:22][CH2:21][CH:20]([NH:23]C(=O)OC(C)(C)C)[CH2:19][CH2:18]2)=[N:15][CH:16]=1)(=[O:10])[NH2:9]>>[ClH:1].[NH2:23][CH:20]1[CH2:19][CH2:18][N:17]([C:14]2[CH:13]=[CH:12][C:11]([C:8]([NH2:9])=[O:10])=[CH:16][N:15]=2)[CH2:22][CH2:21]1 | 1 |
I[Si](C)(C)C.C(C1=CC=CC=C1)OCCCC=1N=C(SC1COC1=CC(=C(C=C1)C1=NOC(N1)=O)OC)C1=CC=C(C=C1)C(F)(F)F>>OCCCC=1N=C(SC1COC1=CC(=C(C=C1)C1=NOC(N1)=O)OC)C1=CC=C(C=C1)C(F)(F)F | 5 |
C1S(=O)(=O)CCC1.Cl[C:9]1[CH:14]=[C:13]([Cl:15])[N:12]=[CH:11][N:10]=1.[Cl:16][C:17]1[CH:23]=[CH:22][C:21]([CH3:24])=[CH:20][C:18]=1[NH2:19].N>C(Cl)Cl>[Cl:15][C:13]1[CH:14]=[C:9]([NH:19][C:18]2[CH:20]=[C:21]([CH3:24])[CH:22]=[CH:23][C:17]=2[Cl:16])[N:10]=[CH:11][N:12]=1 | 1 |
BrC=1C=C2C(=CN=C(C2=CC1)N)Cl>N(C)(C)C=O.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2].C(C)(=O)[O-].[K+]>NC1=NC=C(C2=CC(=CC=C12)C(=O)OC)Cl | 3 |
CC1=NC=CC(=N1)NC1=NC=CC(=C1)B1OC(C(O1)(C)C)(C)C.C(C1=CC=CC=C1)N1C(C=2C=C(C=NC2CC1)Br)=O>ClCCl.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>C(C1=CC=CC=C1)N1C(C=2C=C(C=NC2CC1)C1=CC(=NC=C1)NC1=NC(=NC=C1)C)=O | 3 |
C(C)OC(=O)C1(CCC1)NC(=O)C=1C=2C[C@H]3[C@@H](C2N(N1)C1=C(C=C(C=C1)F)F)C3>>C(N)(=O)C1(CCC1)NC(=O)C1C=2C[C@H]3[C@@H](C2N(N1)C1=C(C=C(C=C1)F)F)C3 | 5 |
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH:8]=C.[O:10]=[O+][O-].[BH4-].[Na+]>CO.C(Cl)Cl>[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][OH:10] | 1 |
ClC1=CC=C2CCCN(C2=N1)C(=O)OC(C)(C)C.C(C)(C)(C)OC(=O)N1C[C@@H](CC1)CC(CC=C)(F)F>C1CCCO1.O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+].B1C2CCCC1CCC2>C(C)(C)(C)OC(=O)N1CCCC2=CC=C(N=C12)CCCC(C[C@H]1... | 3 |
CC1(OB(OC1(C)C)C1=CC=C(C=C1)C(=O)N1CCOCC1)C.BrC=1C=C(C2=C(C(C(O2)CNC(OC(C)(C)C)=O)=O)C1)Cl>>ClC1=CC(=CC=2C(C(OC21)CNC(OC(C)(C)C)=O)=O)C2=CC=C(C=C2)C(=O)N2CCOCC2 | 5 |
[CH2:1]([N:3]([CH:16]1[CH2:21][CH2:20][CH2:19][C:18](O)([C:22]2[CH:23]=[N:24][O:25][CH:26]=2)[CH2:17]1)[C:4]1[CH:11]=[CH:10][C:7]([C:8]#[N:9])=[C:6]([C:12]([F:15])([F:14])[F:13])[CH:5]=1)[CH3:2].[OH-].[Na+]>>[CH2:1]([N:3]([CH:16]1[CH2:21][CH2:20][CH:19]=[C:18]([C:22]2[CH:23]=[N:24][O:25][CH:26]=2)[CH2:17]1)[C:4]1[CH:11... | 2 |
[Fe].ClC1=NC(=CC(=C1[N+](=O)[O-])NC(OC(C)(C)C)=O)Cl>O.CCO[H]>NC=1C(=NC(=CC1NC(OC(C)(C)C)=O)Cl)Cl | 3 |
C(Cl)(=O)C(Cl)=O.CS(C)=O.[Cl:11][C:12]1[CH:13]=[C:14]([CH:19]([CH2:33][CH2:34][OH:35])[CH2:20][C:21]([N:23]2[C:32]3[C:27](=[CH:28][CH:29]=[CH:30][CH:31]=3)[CH2:26][CH2:25][CH2:24]2)=[O:22])[CH:15]=[CH:16][C:17]=1[Cl:18].CCN(CC)CC>C(Cl)Cl>[Cl:11][C:12]1[CH:13]=[C:14]([CH:19]([CH2:33][CH:34]=[O:35])[CH2:20][C:21]([N:23]2... | 1 |
[Cl:1][C:2]1[CH:3]=[N:4][N:5]([CH3:16])[C:6]=1[C:7]1[N:8]=[C:9]([C:12]([O:14]C)=[O:13])[S:10][CH:11]=1.[OH-].[K+]>C1COCC1.O>[Cl:1][C:2]1[CH:3]=[N:4][N:5]([CH3:16])[C:6]=1[C:7]1[N:8]=[C:9]([C:12]([OH:14])=[O:13])[S:10][CH:11]=1 | 2 |
[CH:1]1[CH:2]=[CH:3][C:4]([C:7]2[C:14]3[CH:15]=[C:16]([Cl:19])[CH:17]=[CH:18][C:13]=3[NH:12][C:10](=[O:11])[CH:9](C([O-])=O)[N:8]=2)=[CH:5][CH:6]=1.O[K].[K+].P(O)(O)([O-])=O.[K+]>O>[Cl:19][C:16]1[CH:17]=[CH:18][C:13]2[NH:12][C:10](=[O:11])[CH2:9][N:8]=[C:7]([C:4]3[CH:5]=[CH:6][CH:1]=[CH:2][CH:3]=3)[C:14]=2[CH:15]=1 | 1 |
C([N:8]([CH3:31])[C:9]1([C:12]2[CH:17]=[CH:16][C:15]([C:18]#[C:19][C:20]3[CH:30]=[CH:29][C:23]([C:24]([O:26]CC)=[O:25])=[CH:22][CH:21]=3)=[CH:14][CH:13]=2)[CH2:11][CH2:10]1)C1C=CC=CC=1.[OH-].[Na+]>C(O)C.O1CCCC1>[CH2:9]([CH2:31][NH:8][C:9]1([C:12]2[CH:13]=[CH:14][C:15]([C:18]#[C:19][C:20]3[CH:21]=[CH:22][C:23]([C:24]([O... | 1 |
C1(CC1)C(=O)Cl.C1(=CC=CC=C1)C(C(=O)N)C1=CC=CC=C1>C1CCCO1.[H-].[Na+]>C1(=CC=CC=C1)C(C(=O)NC(=O)C1CC1)C1=CC=CC=C1 | 3 |
[NH2:1][C@@H:2]1[CH2:6][CH2:5][N:4]([C:7]([O:9][C:10]([CH3:13])([CH3:12])[CH3:11])=[O:8])[CH2:3]1.C(N(CC)CC)C.Cl[S:22]([C:25]1[CH:26]=[C:27]([CH:32]=[CH:33][C:34]=1[O:35][CH3:36])[C:28]([O:30][CH3:31])=[O:29])(=[O:24])=[O:23]>C(Cl)Cl>[CH3:36][O:35][C:34]1[CH:33]=[CH:32][C:27]([C:28]([O:30][CH3:31])=[O:29])=[CH:26][C:25... | 2 |
BrC=1C=C2C=NN=CC2=CC1.ClC1=NC=C(C=C1NS(=O)(=O)C1=CC=C(C=C1)F)B1OC(C(O1)(C)C)(C)C>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>ClC1=NC=C(C=C1NS(=O)(=O)C1=CC=C(C=C1)F)C=1C=C2C=NN=CC2=CC1 | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.N1CCCC2=CC(=CC=C12)C(C)=O>>C(C)(C)(C)OC(=O)N1CCCC2=CC(=CC=C12)C(C)=O | 5 |
CC1(OB(OC1(C)C)C1=CC=C(N)C=C1)C.COC(=O)C=1N(C=C(N1)Br)C>N(C)(C)C=O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[F-].[Cs+]>NC1=CC=C(C=C1)C=1N=C(N(C1)C)C(=O)OC | 3 |
COC=1C=C2C(C(=C(OC2=CC1)C)C1=CC=CC=C1)=O>BrN1C(CCC1=O)=O.CC(C)(C#N)/N=N/C(C)(C)C#N>BrCC=1OC2=CC=C(C=C2C(C1C1=CC=CC=C1)=O)OC | 3 |
C1(=CC=CC=C1)C#CC(CC(C=[N+]=[N-])=O)C1=CC(=C(C=C1)OC)OC1CCCC1>CO[H].B(F)(F)F.CCOCC>C1(=CC=CC=C1)C#CC(CC(COC)=O)C1=CC(=C(C=C1)OC)OC1CCCC1 | 3 |
CN(CC(=O)N1CCC2=CC=C(C=C12)[N+](=O)[O-])C>>CN(C)CC(=O)N1CCC2=CC=C(C=C12)N | 5 |
[CH:1]1([CH2:4][NH:5][N:6]2[C:15]3[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=3)[C:9]([OH:16])=[C:8]([C:17]3[NH:22][C:21]4[CH:23]=[CH:24][C:25]([O:27][CH2:28][C:29]([O:31]C(C)(C)C)=[O:30])=[CH:26][C:20]=4[S:19](=[O:37])(=[O:36])[N:18]=3)[C:7]2=[O:38])[CH2:3][CH2:2]1>FC(F)(F)C(O)=O.ClCCl>[CH:1]1([CH2:4][NH:5][N:6]2[C:15]3[C:1... | 1 |
C(OC(=O)[NH:7][C:8]1([C:12]2[CH:17]=[CH:16][C:15]([C:18]3[N:22]4[C:23]5[CH:35]=[CH:34][CH:33]=[N:32][C:24]=5[NH:25][C:26]5[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=5[C:21]4=[N:20][C:19]=3[C:36]3[CH:41]=[CH:40][C:39]([N:42]4[CH2:47][CH2:46][CH2:45][CH2:44][C:43]4=[O:48])=[CH:38][CH:37]=3)=[CH:14][CH:13]=2)[CH2:11][CH2:10][CH... | 1 |
OC=1C=C2C=CC(=CC2=CC1)C=1NC2=CC=CC=C2C1CCCCC>>BrC1=C2C=CC(=CC2=CC=C1O)C=1NC2=CC=CC=C2C1CCCCC | 5 |
[CH2:1]([N:4]1[C:8]2[CH:9]=[CH:10][C:11]([NH2:13])=[CH:12][C:7]=2[N:6]=[CH:5]1)[CH2:2][CH3:3].[Br:14]Br.N.CO.C(Cl)Cl>CC(O)=O>[CH2:1]([N:4]1[C:8]2[CH:9]=[CH:10][C:11]([NH2:13])=[C:12]([Br:14])[C:7]=2[N:6]=[CH:5]1)[CH2:2][CH3:3] | 1 |
NC1=CC(=C(C#N)C=C1C)F>[OH-].[Na+].C(C)(=O)O.N(=O)[O-].[Na+]>FC1=C(C=C2C=NNC2=C1)C#N | 3 |
FC1(C[C@@H](N(CC1)C(=O)OCC1=CC=CC=C1)C1=CC=C(C=C1)OC(F)(F)F)F>CCO[H].[HH].[Pd]>FC1(CC(NCC1)C1=CC=C(C=C1)OC(F)(F)F)F | 3 |
ClC1=C(C=C2CCCN(C2=C1)C1=NN(C2=C1CN(CC2)C(C)=O)C2CCOCC2)C=2C=NN(C2)C>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4.Nc1ccccc1-c2ccccc2[Pd]Cl.Nc3ccccc3-c4ccccc4[Pd]Cl.CC(C)c5cc(C(C)C)c(-c6cccc(c6)P(C7CCCCC7)C8CCCCC8)c(c5)C(C)C.CC(C)c9cc(C(C)C)... | 3 |
[CH:1](=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH2:9][C:10]1[CH:11]=[C:12]2[C:17]3=[C:18]([CH2:20][CH2:21][N:16]3[CH2:15][C@@H:14]3[CH2:22][N:23](C(OC(C)(C)C)=O)[CH2:24][C@H:13]23)[CH:19]=1>>[CH2:1]([NH:9][C:10]1[CH:11]=[C:12]2[C:17]3=[C:18]([CH2:20][CH2:21][N:16]3[CH2:15][C@@H:14]3[CH2:22][NH:23][CH2:24][C@H:13]2... | 1 |
C(C)(=O)NNC(CC1CCC(CC1)C=1SC(=CN1)C1=CC=C(C=C1)[N+](=O)[O-])=O>C1(=CC=C(C=C1)C)C.C2=C(C=CC=C2C)C.C3=CC=CC(=C3C)C.COC=1C=CC(=CC1)P2(=S)SP(=S)(S2)C=3C=CC(=CC3)OC>CC=1SC(=NN1)CC1CCC(CC1)C=1SC(=CN1)C1=CC=C(C=C1)[N+](=O)[O-] | 3 |
C(C)(=O)OCC1=C(C=CC(=C1)NC1=NC(=NC(=C1CC)C)C=1SC(=CC1)Cl)B1OC(C(O1)(C)C)(C)C>>ClC1=CC=C(S1)C=1N=C(C2=C(N1)CCC2)NC2=CC=C(C=C2)CC(=O)O | 5 |
C(C)(C)(C)OC(=O)N([C@H](C)C1=CC=CC2=CC=CC=C12)C[C@H]1CN(C[C@@H]1C1=CC=CC=C1)C(=O)N[C@@H]1CC[C@H](CC1)C(=O)O>Cl.O1CCOCC1>C1(=CC=CC2=CC=CC=C12)[C@@H](C)NC[C@H]1CN(C[C@@H]1C1=CC=CC=C1)C(=O)N[C@@H]1CC[C@H](CC1)C(=O)O | 3 |
C(C)OC1=C(C=O)C=CC=C1.N1=CN=C(C2=C1CNC2)NC=2C=NC1=CC=CC=C1C2>>C(C)OC1=C(CN2CC=3N=CN=C(C3C2)NC=2C=NC3=CC=CC=C3C2)C=CC=C1 | 5 |
C([O:3][C:4]([C:6]1([CH3:22])[CH2:11][CH2:10][N:9]([C:12]2[CH:17]=[CH:16][C:15]([C:18]([CH3:21])([CH3:20])[CH3:19])=[CH:14][CH:13]=2)[CH2:8][CH2:7]1)=[O:5])C.[OH-].[Na+]>CO>[C:18]([C:15]1[CH:14]=[CH:13][C:12]([N:9]2[CH2:10][CH2:11][C:6]([CH3:22])([C:4]([OH:5])=[O:3])[CH2:7][CH2:8]2)=[CH:17][CH:16]=1)([CH3:21])([CH3:19]... | 1 |
C[S-].[Na+].FC1=CC(=C(C=C1)[N+](=O)[O-])OC>>COC=1C=C(C=CC1[N+](=O)[O-])SC | 5 |
ClC1=C(C=O)C(=CC=C1)Cl.Cl.ClCCC(C)(C)N>>ClCCC(C)(C)N=CC1=C(C=CC=C1Cl)Cl | 5 |
CC1(OC[C@@H](O1)CON)C.FC1=C(C=CC(=C1)I)NC1=C(OC2=C1C=NC=C2)C(=O)OCC>C1CCCO1.CO[H].[OH-].[Na+].C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>CC1(OC[C@@H](O1)CONC(=O)C1=C(C=2C=NC=CC2O1)NC1=C(C=C(C=C1)I)F)C | 3 |
FC1=C(C#N)C=CC(=C1)CO>ClCCl.CCN(CC)CC.CS(=O)C>FC1=C(C#N)C=CC(=C1)C=O | 3 |
N#N.[CH2:3]([O:5][C:6]([C:8]1[S:9][CH:10]=[C:11]([CH2:13][N:14]2[CH:18]=[C:17]([N+:19]([O-])=O)[CH:16]=[N:15]2)[N:12]=1)=[O:7])[CH3:4].[NH4+].[Cl-]>CCO.O.[Fe]>[CH2:3]([O:5][C:6]([C:8]1[S:9][CH:10]=[C:11]([CH2:13][N:14]2[CH:18]=[C:17]([NH2:19])[CH:16]=[N:15]2)[N:12]=1)=[O:7])[CH3:4] | 1 |
[Si:1]([O:8][CH2:9][C:10]1[C:11]([C:16](=O)/[CH:17]=[CH:18]/[N:19](C)C)=[N:12][CH:13]=[CH:14][CH:15]=1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].Cl.Cl.[F:25][C:26]([F:32])([F:31])[CH2:27][CH2:28][NH:29]N>CCO>[Si:1]([O:8][CH2:9][C:10]1[C:11]([C:16]2[N:29]([CH2:28][CH2:27][C:26]([F:32])([F:31])[F:25])[N:19]=[CH:18... | 1 |
O1CCC(CC1)C=O.BrC1=CC(=C(C(=C1)C)C=1C(CCC1OC)=O)C>>BrC1=CC(=C(C(=C1)C)C=1C(C(CC1OC)C(C1CCOCC1)O)=O)C | 5 |
[Si:1]([O:8][CH2:9][C@@H:10]([NH:15][CH3:16])[CH2:11][CH2:12][CH2:13][OH:14])([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[F:17][C:18]1[C:37]([F:38])=[CH:36][CH:35]=[CH:34][C:19]=1[CH2:20][NH:21][C:22](=[O:33])OC1C=CC([N+]([O-])=O)=CC=1>C1COCC1>[Si:1]([O:8][CH2:9][C@@H:10]([N:15]([CH3:16])[C:22]([NH:21][CH2:20][C:1... | 1 |
FC(C1=C(OC2CN(CC2)C=2SC(=CN2)C(=O)O)C=CC=C1)(F)F>>FC(C1=C(OC2CN(CC2)C=2SC(=CN2)C(=O)N)C=CC=C1)(F)F | 5 |
FC=1C=C2C=CNC2=C(C1F)C(=O)O.C(C)(C)(C)C1=CC=C(CNCCC2=CC(=CC=C2)C(F)(F)F)C=C1>>C(C)(C)(C)C1=CC=C(CN(C(=O)C=2C(=C(C=C3C=CNC23)F)F)CCC2=CC(=CC=C2)C(F)(F)F)C=C1 | 5 |
BrC1=CC=C(S1)S(=O)(=O)N1C=C(C(=C1C=1C(=NC=CC1)F)F)CN(C(OC(C)(C)C)=O)C>Cl.C(C)(=O)OCC.CC(C)O>Cl.BrC1=CC=C(S1)S(=O)(=O)N1C=C(C(=C1C=1C(=NC=CC1)F)F)CNC | 3 |
[Cl:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]([OH:11])[C:7]=1[C:8]([OH:10])=[O:9].[H-].[Na+].[H][H].[CH2:16](Cl)[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1.[I-].[Na+].Cl.[Cl-].[Na+]>CN(C)C=O>[Cl:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]([OH:11])[C:7]=1[C:8]([O:10][CH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)=[O:9] | 1 |
C[Si](C)(C)C=[N+]=[N-].FC1=C(C(=O)O)C=C(C=C1)OC>CO[H].ClCCl>FC1=C(C(=O)OC)C=C(C=C1)OC | 3 |
[NH2:1][CH2:2][C:3]1[CH:4]=[C:5]([NH:16][C:17]([C:19]2([C:22]3[CH:30]=[CH:29][C:25]4[O:26][CH2:27][O:28][C:24]=4[CH:23]=3)[CH2:21][CH2:20]2)=[O:18])[CH:6]=[C:7]2[C:11]=1[NH:10][C:9]([C:12]([CH3:15])([CH3:14])[CH3:13])=[CH:8]2.C(N(CC)CC)C.[CH3:38][S:39](Cl)(=[O:41])=[O:40]>CN(C=O)C>[O:26]1[C:25]2[CH:29]=[CH:30][C:22]([C... | 1 |
I.NC1CC(CCC1)N1C(C=2C(C=3C(=CC=CC13)Cl)=NOC2C)=O.C1=CC(=CN=C1)C(=O)NCC(=O)O>>ClC=1C=2C=3C(C(N(C2C=CC1)C1CC(CCC1)NC(=O)CNC(C1=CN=CC=C1)=O)=O)=C(ON3)C | 5 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5](I)=[CH:4][C:3]=1[F:9].[N:10]1[C:19]2[CH:18]=[CH:17][CH:16]=[C:15](B(O)O)[C:14]=2[CH:13]=[CH:12][CH:11]=1.C([O-])(=O)C.[K+].C([O-])([O-])=O.[Cs+].[Cs+]>CS(C)=O.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2]>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:... | 1 |
P(=O)(OCC)(OCC)OCl.CN([C@@H]1CC[C@H](CC1)CS(=O)(=O)N1C[C@@H](CCC1)O)C=1C2=C(N=CN1)NC=C2>ClCCl.C(C)(C)N(C(C)C)CC.C[Si](C)(C)Br>P(=O)(O[C@H]1CN(CCC1)S(=O)(=O)C[C@@H]1CC[C@H](CC1)N(C=1C2=C(N=CN1)NC=C2)C)(O)O | 3 |
C(C1=CC=CC=C1)Br.BrC=1C=NC=CC1O>>C(C1=CC=CC=C1)OC1=C(C=NC=C1)Br | 5 |
C(C)(C)(C)OC(=O)N(C=1C=2N(C3=CC(=C(C=C3N1)F)C(=O)OC)C=NC2)C(=O)OC(C)(C)C>O.CO[H].Cl.O[Li].O>C(C)(C)(C)OC(=O)NC=1C=2N(C3=CC(=C(C=C3N1)F)C(=O)O)C=NC2 | 3 |
C[O:2][C:3](=O)[C:4]1[CH:9]=[CH:8][C:7]([CH2:10][OH:11])=[CH:6][C:5]=1[OH:12].Cl.[NH2:15][OH:16].CO.C[O-].[Na+].CO>O>[OH:16][NH:15][C:3](=[O:2])[C:4]1[CH:9]=[CH:8][C:7]([CH2:10][OH:11])=[CH:6][C:5]=1[OH:12] | 1 |
BrCCC1=CC=C(C#N)C=C1.Cl.N1(CCNCC1)C(CC1=CC=C(C=C1)N1N=NN=C1)=O>>N1(N=NN=C1)C1=CC=C(C=C1)CC(=O)N1CCN(CC1)CCC1=CC=C(C#N)C=C1 | 5 |
C(C)(=S)N.BrCC(=O)[C@H]1N(C[C@@H](C1)OS(=O)(=O)C)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]>CO[H].ClCCl>CS(=O)(=O)O[C@@H]1C[C@H](N(C1)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C=1N=C(SC1)C | 3 |
ClC1=NC=CC(=N1)Cl.CN1N=C(C(=C1O)OC1=CC(=CC=C1)C)C>CC#N.O.C([O-])([O-])=O.[K+].[K+]>CN1N=C(C(=C1OC1=NC(=NC=C1)Cl)OC1=CC(=CC=C1)C)C | 3 |
C(C)(C)(C)OC(=O)N(C[C@H]1NC(CC1)=O)CC=1C=CC(=NC1OC)C=1C(=C(C=CC1)C=1C(=C(C=CC1)C=1C=C2C(N(C(=NN2C1)CNC[C@H](CC(=O)O)O)C)=O)Cl)Cl>ClCCl.C(=O)(C(F)(F)F)O>ClC1=C(C=CC=C1C1=C(C(=CC=C1)C1=NC(=C(C=C1)CNC[C@H]1NC(CC1)=O)OC)Cl)C=1C=C2C(N(C(=NN2C1)CNC[C@H](CC(=O)O)O)C)=O | 3 |
BrC=1C=2N(C=CC1)N=C(N2)N.CC1(OC(OC1(C)C)C1=CCN(CC1)C(=O)OC(C)(C)C)C>O.ClCCl.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>NC1=NN2C(C(=CC=C2)C=2CCN(CC2)C(=O)OC(C)(C)C)=N1 | 3 |
C1C(CC)O1.[Si](C)(C)(C(C)(C)C)OCCCCC=O.C(C)OC(CCCOC1=C(C(=CC=C1)CBr)\C=C\C(=O)OCC)=O>>C(C)OC(CCCOC1=C(C(=CC=C1)C=CCCCCO[Si](C)(C)C(C)(C)C)\C=C\C(=O)OCC)=O | 5 |
[C]=O.ClC1=NC(=CC(=C1)C(C)(C)O)C(F)(F)F>CO[H].CCN(CC)CC.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>OC(C)(C)C1=CC(=NC(=C1)C(F)(F)F)C(=O)OC | 3 |
N1C=CC=CC=1.C1(N=C=NC2CCCCC2)CCCCC1.[CH3:22][C:23]1([CH3:38])[C@@H:25](/[CH:26]=[C:27](\[Br:34])/[C:28]([O:30][CH2:31][CH2:32][CH3:33])=[O:29])[C@H:24]1[C:35]([OH:37])=[O:36].[C:39]([C@@H:41](O)[C:42]1[CH:47]=[CH:46][CH:45]=[C:44]([O:48][C:49]2[CH:54]=[CH:53][CH:52]=[CH:51][CH:50]=2)[CH:43]=1)#[N:40]>C(Cl)Cl.CN(C)C1C=C... | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:9](=[CH:10][CH:11]=1)[NH:8][C:7]([CH3:12])=[C:6]2[CH2:13][C:14]([NH:16][C@@H:17]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][C:26](=[O:28])[CH3:27])[C:18](O)=[O:19])=[O:15].[NH2:29][CH2:30][CH2:31][C:32]1[C:40]2[C:35](=[CH:36][CH:37]=[CH:38][CH:39]=2)[NH:34][CH:33]=1>>[NH:34]1[C:35]2[C:40... | 2 |
[NH2:1][C@H:2]1[C@@H:7]([CH2:8]O)[CH2:6][CH2:5][N:4]([C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH2:3]1.C(N(CC)CC)C.[N+:24]([C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=1[S:33](Cl)(=[O:35])=[O:34])([O-:26])=[O:25]>C(Cl)Cl>[N+:24]([C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=1[S:33]([N:1]1[C@H:2]2[C@H:7]([CH... | 1 |
C(Cl)(=O)C(Cl)=O.CS(C)=O.[CH2:11]1[CH2:51][O:50][C:13]([CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49])([CH2:14][CH2:15][C@H:16]2[C@H:20]([O:21][CH:22]3[CH2:27][CH2:26][CH2:25][CH2:24][O:23]3)[CH2:19][C@H:18]([OH:28])[C@@H:17]2[CH2:29]/[CH:30]=[CH:31]\[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][C:37]([O:39][CH:40... | 1 |
[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[C:9]1[CH:14]=[CH:13][C:12]([C:15](=[O:21])[CH2:16][CH2:17][C:18]([OH:20])=[O:19])=[CH:11][CH:10]=1.C1CCCCC1.C(OCC)(=O)C.C1(N)CCCCC1>CC(C)=O.C(OCC)(=O)C>[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[C:9]1[CH:14]=[CH:13][C:12]([CH:15]([OH:21])[CH2:16][CH2:17][C:18](... | 1 |
C1=CC=CC2=C1C=1NC3=CC=CC=C3C1C(S2)C(=O)O>ClCCl.C(C)(C)N(C(C)C)CC.C(C)NCC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)Br.F[P-](F)(F)(F)(F)F>C(C)N(C(=O)C1SC2=C(C=3NC4=CC=CC=C4C13)C=CC=C2)CC | 3 |
BrCC(=O)OCC.Cl.N[C@@H](CCC(=O)OCC)C>O.C1CCCO1.C([O-])([O-])=O.[K+].[K+]>C(C)OC(CN[C@@H](CCC(=O)OCC)C)=O | 3 |
BrC=1C=CC(=NC1)OC>N(C)(C)C=O.C1CCCO1.C(CCC)[Li].[Cl-].[NH4+]>COC1=CC=C(C=N1)C=O | 3 |
[C:1]([O:5][C:6]([C@@H:8]1[S:12][C@@H:11]([CH2:13][C:14]#N)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C(O)(=O)CC(CC(O)=O)(C(O)=O)[OH:19]>C(OCC)C.[H-].C([Al+]CC(C)C)C(C)C.CCCCCC>[C:1]([O:5][C:6]([C@@H:8]1[S:12][C@@H:11]([CH2:13][CH:14]=[O:19])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
FC(C(=O)O)(F)F.N[C@@H](C(=O)N1CC(C1)C#N)C.ClC1=CC(=C2C(=NN(C2=C1)C)C=1N=C2C(=NC1)N(C=C2C(=O)O)COCC[Si](C)(C)C)F>CC#N.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F>C(#N)C1CN(C1)C([C@@H](C)NC(=O)C1=CN(C2=NC=C(N=C21)C2=NN(C1=CC(=CC(=C21)F)Cl)C)COCC[Si](C)(C)C)=O | 3 |
ClCC(=N)N.Cl.ClC1=CC=C(C=C1)[C@@H]1COC2=C(O1)C=CC=C2C2CCNCC2>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=CC=C(C=C1)[C@@H]1COC2=C(O1)C=CC=C2C2CCN(CC2)CC(N)=N | 3 |
[CH3:1][O:2][C:3]1[CH:12]=[CH:11][C:6]([C:7](=[O:10])[CH2:8][Br:9])=[CH:5][CH:4]=1.[CH:13](=[N:20][N:21]1[CH:25]=[CH:24][N:23]=[C:22]1[CH2:26][CH3:27])[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1>C(Cl)CCl>[Br-:9].[CH:13](=[N:20][N+:21]1[CH:25]=[CH:24][N:23]([CH2:8][C:7]([C:6]2[CH:11]=[CH:12][C:3]([O:2][CH3:1])=[CH:4]... | 1 |
[Br:1][C:2]1[CH:3]=[N:4][NH:5][CH:6]=1.Cl[CH:8]1[CH2:11][CH:10]([C:12]([O:14][CH3:15])=[O:13])[CH2:9]1.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C.C(OCC)C>[Br:1][C:2]1[CH:3]=[N:4][N:5]([CH:8]2[CH2:11][CH:10]([C:12]([O:14][CH3:15])=[O:13])[CH2:9]2)[CH:6]=1 | 1 |
C(C1=CC=CC=C1)OC=1C=C(C=C(C1)C(=O)OC)CN(C(=O)OC(C)(C)C)CC1CN(CC1)C(=O)OC(C)(C)C>[HH].C(C)(=O)OCC.[Pd]>C(C)(C)(C)OC(=O)N(CC1=CC(=CC(=C1)C(=O)OC)O)CC1CN(CC1)C(=O)OC(C)(C)C | 3 |
[OH:1][CH2:2][C:3]1[CH:21]=[CH:20][C:6]([NH:7][CH:8]=[C:9]([C:15]([O:17][CH2:18][CH3:19])=[O:16])[C:10]([O:12][CH2:13][CH3:14])=[O:11])=[C:5]([I:22])[CH:4]=1.[C:23](OC(=O)C)(=[O:25])[CH3:24].O>C(O)(=O)C>[C:23]([O:1][CH2:2][C:3]1[CH:21]=[CH:20][C:6]([NH:7][CH:8]=[C:9]([C:15]([O:17][CH2:18][CH3:19])=[O:16])[C:10]([O:12][... | 1 |
COC1=CC=C(C=C1)N1N=C(N=C1)C=1C=C(C(=O)OC)C=CC1>>COC1=CC=C(C=C1)N1N=C(N=C1)C=1C=C(C(=O)O)C=CC1 | 5 |
[N+:1]([C:4]1[CH:8]=[C:7]([C:9]([OH:11])=[O:10])[NH:6][N:5]=1)([O-])=O.CC1C(=O)NC(=O)N(C2OC(COP(OC3C(CO)OC(N4C(=O)N=C(N)C=C4)C3)(O)=S)C(OP(OCC3OC(N4C5N=C(N)NC(=O)C=5N=C4)CC3OP(OCC3OC(N4C(=O)N=C(N)C=C4)CC3OP(OCC3OC(N4C(=O)N=C(N)C=C4)CC3OP(OCC3OC(N4C5N=CN=C(N)C=5N=C4)CC3OP(OCC3OC(N4C(=O)N=C(N)C=C4)CC3OP(OCC3OC(N4C5N=C(N)... | 2 |
[CH2:1]([O:3][C:4]([C:6]1[CH2:7][N:8](CC2C=CC=CC=2)[CH2:9][CH2:10][C:11]=1[C:12]1[CH:17]=[CH:16][C:15]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)=[CH:14][CH:13]=1)=[O:5])[CH3:2].C(O)(=O)C.[H][H]>C(O)C>[CH2:1]([O:3][C:4]([C@H:6]1[C@@H:11]([C:12]2[CH:13]=[CH:14][C:15]([C:18]3[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=3)=... | 2 |
[CH:1]1([CH2:7][C@@H:8]([NH2:24])[CH2:9][N:10]2[CH2:15][CH2:14][N:13]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=3[O:22][CH3:23])[CH2:12][CH2:11]2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.C(N(CC)CC)C.[CH:32]1([C:38](Cl)=[O:39])[CH2:37][CH2:36][CH2:35][CH2:34][CH2:33]1>ClCCl>[CH:1]1([CH2:7][C@@H:8]([NH:24][C:38]([CH:32]2[C... | 1 |
ClC1=C(C=CC(=C1)Cl)S(=O)(=O)NCCCCNC([C@@H](NC(=O)OC(C)(C)C)CC(C)C)=O>CO[H].Cl.O1CCOCC1>Cl.ClC1=C(C=CC(=C1)Cl)S(=O)(=O)NCCCCNC([C@@H](N)CC(C)C)=O | 3 |
ICCCCC.COC1=CC=C(C=C1)CN1C=NC=2NC(N(C(C12)=O)C1=CC=CC=C1)=O>N(C)(C)C=O.C([O-])([O-])=O.[Na+].[Na+]>COC1=CC=C(C=C1)CN1C=NC=2N(C(N(C(C12)=O)C1=CC=CC=C1)=O)CCCCC | 3 |
Br[C:2]1[CH:3]=[CH:4][C:5]2[C:11]3=[N:12][O:13][C:14]([C:15]4[C:19]([C:20]([F:23])([F:22])[F:21])=[C:18]([C:24]5[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=5)[O:17][N:16]=4)=[C:10]3[CH2:9][O:8][C:6]=2[CH:7]=1.[CH2:30]([Sn](CCCC)(CCCC)C=C)[CH2:31]CC.[Cl-].[Li+]>O1CCOCC1.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2... | 1 |
CN1N=CC(=C1)B1OC(C(O1)(C)C)(C)C.C(C)(C)(C)C1=CC=C(C(=O)NC=2N=C3N(N=C(C=C3)I)C2)C=C1>>C(C)(C)(C)C1=CC=C(C(=O)NC=2N=C3N(N=C(C=C3)C=3C=NN(C3)C)C2)C=C1 | 5 |
[F:1][C:2]1[CH:3]=[C:4]([C:10]2[C:11]([C:17]3[CH:22]=[CH:21][C:20]([O:23][CH3:24])=[CH:19][CH:18]=3)=[CH:12][C:13](=[O:16])[NH:14][N:15]=2)[CH:5]=[CH:6][C:7]=1[O:8][CH3:9].Cl[CH2:26][CH:27]1[CH2:29][CH2:28]1>>[CH:27]1([CH2:26][N:14]2[C:13](=[O:16])[CH:12]=[C:11]([C:17]3[CH:18]=[CH:19][C:20]([O:23][CH3:24])=[CH:21][CH:2... | 1 |
C(C)(=O)OC(C)=O.N[C@H]1C[C@H](CC1)C(=O)NC1=NC=NC(=C1)C1=C(C=C(C=C1)F)OC>ClCCl.C(C)(=O)O>C(C)(=O)N[C@H]1C[C@H](CC1)C(=O)NC1=NC=CC(=C1)C1=C(C=C(C=C1)F)OC | 3 |
BrC1=CC=CC=2N1N=C(C2)OC>C(C)(=O)O.N(=O)[O-].[Na+]>BrC1=CC=CC=2N1N=C(C2N=O)OC | 3 |
COC=1C(=C2C=CN(C(C2=CC1)=O)[C@@H](C(=O)N)C)[N+](=O)[O-]>>NC1=C2C=CN(C(C2=CC=C1OC)=O)[C@@H](C(=O)N)C | 5 |
C(C)(C)(C)[Si](C)(C)Cl.BrC=1SC(=C(N1)CO)C>N(C)(C)C=O.c1cnc[nH]1>BrC=1SC=C(N1)CO[Si](C)(C)C(C)(C)C | 3 |
Cl[C:2]1[N:7]=[C:6]([NH:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=2[C:15]2[NH:16][CH:17]=[C:18]([C:20]([F:23])([F:22])[F:21])[N:19]=2)[C:5]([Cl:24])=[CH:4][N:3]=1.[NH2:25][C:26]1[CH:39]=[CH:38][C:29]2[NH:30][C:31](=[O:37])[CH2:32][CH2:33][C:34]([CH3:36])([CH3:35])[C:28]=2[CH:27]=1.C12(CS(O)(=O)=O)C(C)(C)C(CC1)CC2=O.... | 1 |
COC1=NN(C2=C1C=NC(=C2)NC(=O)N[C@H](C)C2=CC=CC=C2)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2>>COC1=NNC2=C1C=NC(=C2)NC(=O)N[C@H](C)C2=CC=CC=C2 | 5 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[F:7][C:8]1[C:16]([O:17][CH3:18])=[CH:15][CH:14]=[CH:13][C:9]=1[C:10](O)=[O:11].[OH-].[Na+]>CCOCC>[F:7][C:8]1[C:16]([O:17][CH3:18])=[CH:15][CH:14]=[CH:13][C:9]=1[CH2:10][OH:11] | 1 |
BrC1=CC=NC=C1>C(CCC)[Li].C(C)B(OC)CC>C(C)B(C1=CC=NC=C1)CC | 3 |
Cl.[Cl:2][C:3]1[CH:8]=[CH:7][C:6]([C@H:9]2[CH2:14][CH2:13][NH:12][CH2:11][C@H:10]2[CH3:15])=[C:5]([F:16])[CH:4]=1.C(N(CC)CC)C.[O-]S([O-])(=O)=O.[Mg+2].O.Cl.[CH3:32][N:33]1[C:41]2[C:36](=[N:37][CH:38]=[CH:39][CH:40]=2)[N:35]=[C:34]1[CH:42]=O.[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+]>C(Cl)Cl>[Cl:2][C:3]1[CH:8]=[CH:7][C:6]([C@... | 2 |
O[C@H]1CN(C[C@H]1NC1=NN=C(C2=CC=CC=C12)C1=CC=C(C=C1)C(F)(F)F)C(=O)OC(C)(C)C>CO[H].Cl>FC(C1=CC=C(C=C1)C1=NN=C(C2=CC=CC=C12)N[C@H]1[C@H](CNC1)O)(F)F | 3 |
C(C)(C)(C)OC(=O)N1[C@@H](CCC1=O)C(=O)O>>C(C)(C)(C)OC(=O)N[C@H](C(=O)O)CCC(C=C(C)C)=O | 5 |
[C:1]1([S:7]([C:10]2[CH:11]=[CH:12][C:13]([N+:17]([O-])=O)=[C:14]([OH:16])[CH:15]=2)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1>C(O)C.[Pd]>[NH2:17][C:13]1[CH:12]=[CH:11][C:10]([S:7]([C:1]2[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=2)(=[O:9])=[O:8])=[CH:15][C:14]=1[OH:16] | 1 |
C1N=CN(C(N2C=NC=C2)=O)C=1.[CH:13]1[C:18]([C:19]([OH:21])=O)=[CH:17][CH:16]=[C:15]([C:22]([OH:31])([C:27]([F:30])([F:29])[F:28])[C:23]([F:26])([F:25])[F:24])[CH:14]=1.[CH3:32][NH:33][CH2:34][CH2:35][C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1>C1COCC1>[CH2:34]([N:33]([CH3:32])[C:19](=[O:21])[C:18]1[CH:17]=[CH:16][C:15]... | 2 |
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