smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
ClC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC1=C(C=C(C=C1)OC)OC.FC(C1=NNC=N1)F>CC#N.C([O-])([O-])=O.[K+].[K+]>FC(C1=NN(C=N1)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC1=C(C=C(C=C1)OC)OC)F | 3 |
ClC1=C(C(=NC=N1)NC1=CC=C(C=C1)Cl)N>C1CCNC1>ClC1=CC=C(C=C1)NC1=NC=NC(=C1N)N1CCCC1 | 3 |
[CH2:1]([Mg]Br)[CH3:2].[O:5]1[CH2:9][CH2:8][CH:7]([C:10]2[CH:11]=[C:12]([CH:15]=[CH:16][CH:17]=2)[C:13]#[N:14])[CH2:6]1.B(F)(F)F.CCOCC.[OH-].[Na+]>C(OCC)C.Cl.CC(C)[O-].[Ti+4].CC(C)[O-].CC(C)[O-].CC(C)[O-].CO>[OH-:5].[NH4+:14].[O:5]1[CH2:9][CH2:8][CH:7]([C:10]2[CH:11]=[C:12]([C:13]3([NH2:14])[CH2:2][CH2:1]3)[CH:15]=[CH:... | 2 |
Cl.COC([C@H](N)CC(C)C)=O>C1CCCO1.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F.O.O.[Cu](Cl)Cl>C(C)(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)OC)CC(C)C)CC1=CC=CC=C1)CC1=CC=CC=C1 | 3 |
[CH2:1]([N:8]1[CH2:12][C@H:11]2[C:13](=[O:16])[CH2:14][CH2:15][C@H:10]2[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[BH4-].[Na+]>CO>[CH2:1]([N:8]1[CH2:12][C@H:11]2[C@@H:13]([OH:16])[CH2:14][CH2:15][C@H:10]2[CH2:9]1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
NC1=NC=CC=C1C1=NC2=C(N1C1=CC=C(C=C1)CO)C=CC=C2>ClCCl.ClS(Cl)=O>ClCC1=CC=C(C=C1)N1C(=NC2=C1C=CC=C2)C=2C(=NC=CC2)N | 3 |
ClN1C(=O)CCC1=O.[Br:9][C:10]1[C:19]2[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=2)[C:13]([CH:20]=[N:21][OH:22])=[CH:12][CH:11]=1.[Cl:23][C:24]1[CH:29]=[C:28]([C:30]([C:32]([F:35])([F:34])[F:33])=[CH2:31])[CH:27]=[C:26]([Cl:36])[CH:25]=1.C(N(CC)CC)C>CN(C=O)C.O>[Br:9][C:10]1[C:19]2[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=2)[C:13]... | 1 |
C(C)OC(CC(=O)OCC)=O.IC1=C(CCl)C=CC=C1>>C(C)OC(C(C(=O)OCC)CC1=C(C=CC=C1)I)=O | 5 |
C1(=CC=CC=C1)N1N=CC=C1N.C(C)OC(C(=COCC)C(C1=CC=CC=C1)=O)=O>C(C)(=O)OCC.C1(=CC=CC=C1)OC1=CC=CC=C1>OC1=C2C(=NC=C1C(=O)C1=CC=CC=C1)N(N=C2)C2=CC=CC=C2 | 3 |
[Si](C)(C)(C(C)(C)C)O[C@]12C=C[C@H]([C@H](OC1=O)C2)OC(C2=CC=CC=C2)=O>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>O[C@]12C=C[C@H]([C@H](OC1=O)C2)OC(C2=CC=CC=C2)=O | 3 |
CN(CC(=O)O)CC(=O)O.FC1=CC=C(CCOC2=CC=C(C=C2)B(O)O)C=C1>>FC1=CC=C(CCOC2=CC=C(C=C2)B2OC(CN(CC(O2)=O)C)=O)C=C1 | 5 |
[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]([F:18])([F:17])[F:16])=[CH:11][C:10]=1I)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C([Mg]Cl)(C)C.C(OCC)C.[B:30](OC)([O:33]C)[O:31]C.Cl>O1CCCC1>[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]([F:18])([F:17])[F:16])=[CH:11][C:10]=1[B:30]([OH:33])[OH:31])[C:2]1[CH:7]=[CH:6][CH... | 1 |
ClC1=NN(C2=CC=C(C=C12)CO)C(C)C>[OH-].[Na+]>BrCC=1C=C2C(=NN(C2=CC1)C(C)C)Cl | 3 |
COC1=C(CN)C=CC(=C1)OC.ClC1=CC2=C(C=N1)CN(C2)CC2=C(C=C(C=C2)OC)OC>C1(=CC=CC=C1)C.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].CC(C)(C)[O-].[Na+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>COC1=C(C=CC(... | 3 |
ClC1=C(C(=CC(=C1)[N+](=O)[O-])Cl)F>O.CO[H].[Zn].C(=O)[O-].[NH4+]>ClC=1C=C(C=C(C1F)Cl)N | 3 |
[CH:1]1([N:7]2[C:11]([C:12]3[CH:17]=[CH:16][C:15]([NH2:18])=[C:14]([NH:19][CH2:20][CH:21]([CH3:23])[CH3:22])[CH:13]=3)=[C:10]([C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)[N:9]=[CH:8]2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[CH:30](OC)(OC)OC>>[CH2:20]([N:19]1[C:14]2[CH:13]=[C:12]([C:11]3[N:7]([CH:1]4[CH2:2][CH2:3][CH2:... | 1 |
CI.ClC=1C=C2C(=C(N(C(C2=CC1)=O)C)C(=O)OCC)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC=1C=C2C(=C(N(C(C2=CC1)=O)C)C(=O)OCC)OC | 3 |
N1N=C(C2=CC=CC=C12)C(=O)O.NC=1C=C2C(C(N(C2=CC1N)CC)=O)(C)C>>C(C)N1C(C(C=2C=C3C(=CC12)NC(=N3)C3=NNC1=CC=CC=C31)(C)C)=O | 5 |
[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[N:11]([CH2:36][CH:37]([CH3:39])[CH3:38])[C:12](=[O:35])[C:13]2[C:18]([C:19]=1[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)=[CH:17][C:16]([C:26]1[S:27][C:28]([C:32]([OH:34])=O)=[C:29]([CH3:31])[N:30]=1)=[CH:15][CH:14]=2)=[O:7])([CH3:4])([CH3:3])[CH3:2].Cl.C([N:43]=C=NCCCN(C)C)C.[N... | 2 |
ClS(=O)(=O)O.C(C)OC(=O)C=1SC(=CC1)C>ClCCl>C(C)OC(=O)C=1SC(=C(C1)S(=O)(=O)Cl)C | 3 |
FC(C(=O)O)F.Cl.NCC1CN(C(O1)=O)C1=CC(=C(C=C1)N1CCC(C=C1)=O)F>N(C)(C)C=O.c1ccncc1.C(C)(C)N=C=NC(C)C>FC=1C=C(C=CC1N1CCC(C=C1)=O)N1C(OC(C1)CNC(C(F)F)=O)=O | 3 |
[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([CH:16]2[CH2:21][C:20]([CH3:23])([CH3:22])[O:19][C:18]([CH3:31])([C:24]([O:26][CH2:27][CH2:28][CH2:29][CH3:30])=[O:25])[CH2:17]2)=[N:6][C:7]=1[C:8]1[CH2:13][CH2:12][C:11]([CH3:15])([CH3:14])[CH2:10][CH:9]=1.[C:32]([C:34]1[N:35]=[C:36]([C:47]([O-])=[O:48])[N:37]([CH2:39][O:40][CH2:41][CH2... | 2 |
C(C)(C)(C)OC(=O)NC=1SC=CC1C(=O)O>N(C)(C)C=O.ClN1C(CCC1=O)=O>C(C)(C)(C)OC(=O)NC=1SC(=CC1C(=O)O)Cl | 3 |
C(C)OC(=O)[C@]12CCC(N2CC(C1)=CC(=O)O)=O>O.C1CCCO1.[Na+].[BH4-].CN1CCOCC1.C(C(C)C)OC(=O)Cl>OCC=C1C[C@@]2(CCC(N2C1)=O)C(=O)OCC | 3 |
COC(=O)C=1C(=C2CCC(N(C2=C(N1)C#N)CC1=CC=CC=C1)=O)O>>C(C1=CC=CC=C1)N1C(CCC2=C(C(=NC(=C12)C#N)C(=O)NCC(=O)O)O)=O | 5 |
[CH3:1][O:2][N:3]([CH3:18])[C:4]1[N:9]=[C:8]([NH:10][CH2:11][CH2:12][CH3:13])[N:7]=[C:6]([NH:14][CH2:15][C:16]#[CH:17])[N:5]=1.[C:19]([OH:26])(=[O:25])/[CH:20]=[CH:21]/[C:22]([OH:24])=[O:23]>C(OCC)(=O)C.C(O)C>[C:19]([OH:26])(=[O:25])/[CH:20]=[CH:21]/[C:22]([OH:24])=[O:23].[CH3:1][O:2][N:3]([CH3:18])[C:4]1[N:5]=[C:6]([N... | 2 |
C(C)B(O)O.NC1=C(C=C(C=C1)F)C(C)=O>>C(C)NC1=C(C=C(C=C1)F)C(C)=O | 5 |
CSN=C=O.[N+](=O)([O-])C=1C=C(C=CC1)C(C(=O)NN)C1COC1>C1CCCO1.[OH-].[Na+]>CN1C(=NN=C1C(C1COC1)C1=CC(=CC=C1)[N+](=O)[O-])S | 3 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([CH3:8])=[CH:4][CH:3]=1.Cl[C:10]1[C:15]([N+:16]([O-:18])=[O:17])=[CH:14][CH:13]=[CH:12][C:11]=1[N+:19]([O-:21])=[O:20].C(N(CC)CC)C.C(OCC)(=O)C>CS(C)=O>[CH3:8][C:5]1[CH:6]=[CH:7][C:2]([NH:1][C:10]2[C:11]([N+:19]([O-:21])=[O:20])=[CH:12][CH:13]=[CH:14][C:15]=2[N+:16]([O-:18])=[O:17])=[CH:3... | 1 |
C(C1=CC=CC=C1)OC(NC1(CC1)C1=NN=C(N1)C1CC1)=O>CO[H].[HH].[Pd]>C1(CC1)C=1NC(=NN1)C1(CC1)N | 3 |
ClC=1C=C(C=CC1F)C1=C2CC(NC2=CC=C1)=O.N1(CCCC1)CCNC(=O)C1=C(NC(=C1)C)C=O>>N1(CCCC1)CCNC(=O)C1=C(NC(=C1)C)C=C1C(NC2=CC=CC(=C12)C1=CC(=C(C=C1)F)Cl)=O | 5 |
C(C)(=O)N[C@@]1([C@H]([C@@H]2CC(C[C@@H]2C1)=O)CC=C)C(=O)NC(C)(C)C>O.CO[H].ClCCl.CC1(OBOC1(C)C)C.C1(=CC=CC=C1)P(CCP(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1.[Ir].ClC1=CCCC=CCC1>C(C)(=O)N[C@@]1([C@H]([C@@H]2CC(C[C@@H]2C1)=O)CCCB1OC(C(O1)(C)C)(C)C)C(=O)NC(C)(C)C | 3 |
[CH2:1]([N:3]1[C:11]2[CH:10]=[C:9]3[NH:12][C:13]([C:15]4[C:23]5[C:18](=[CH:19][CH:20]=[C:21]([C:24]([OH:26])=O)[CH:22]=5)[NH:17][N:16]=4)=[N:14][C:8]3=[CH:7][C:6]=2[C:5]([CH3:28])([CH3:27])[C:4]1=[O:29])[CH3:2].C(Cl)(=O)C(Cl)=O.[NH2:36][C:37]1[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=1.C(N(CC)CC)C>C1COCC1.CN(C=O)C>[C:37]1(... | 2 |
[CH3:1][O:2][C:3](=[O:50])[C:4]1[CH:9]=[CH:8][C:7]([C:10]([N:12]2[CH2:18][C@H:17]([NH:19][C:20](=[O:32])[C@@H:21]([N:23](C(OC(C)(C)C)=O)[CH3:24])[CH3:22])[C:16](=[O:33])[N:15]([CH2:34][C:35]3[C:44]4[C:39](=[CH:40][CH:41]=[CH:42][CH:43]=4)[CH:38]=[CH:37][C:36]=3[CH3:45])[C:14]3[CH:46]=[CH:47][CH:48]=[CH:49][C:13]2=3)=[O... | 2 |
[C:1]([C:3]([C:11]1[S:12][CH:13]=[CH:14][CH:15]=1)([CH:8]([CH3:10])[CH3:9])[CH2:4][CH2:5][CH2:6]I)#[N:2].[CH3:16][C:17]1[N:22]=[C:21]([O:23][CH2:24][CH2:25][N:26]2[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]2)[CH:20]=[CH:19][CH:18]=1>>[C:1]([C:3]([C:11]1[S:12][CH:13]=[CH:14][CH:15]=1)([CH:8]([CH3:10])[CH3:9])[CH2:4][CH2:5][... | 1 |
[C:1]([C:3]1[CH:18]=[CH:17][C:6]([CH2:7][NH:8][CH2:9][C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])=[CH:5][CH:4]=1)#[N:2].[N+:19]([C:22]1[CH:30]=[CH:29][C:25]([C:26](Cl)=[O:27])=[CH:24][CH:23]=1)([O-:21])=[O:20]>C(Cl)Cl>[C:1]([C:3]1[CH:4]=[CH:5][C:6]([CH2:7][N:8]([CH2:9][C:10]([O:12][C:13]([CH3:15])([CH3:14])... | 1 |
C[N:2]([CH3:17])[C:3]([CH3:16])=[CH:4][C:5]([C:7]1[CH:12]=[CH:11][CH:10]=[C:9]([N+:13]([O-:15])=[O:14])[CH:8]=1)=O.[N:18]1[CH:23]=[CH:22][C:21]([C:24]2[CH:25]=C(N)[NH:27][N:28]=2)=[CH:20][CH:19]=1>C(O)(=O)C>[CH3:16][C:3]1[CH:4]=[C:5]([C:7]2[CH:12]=[CH:11][CH:10]=[C:9]([N+:13]([O-:15])=[O:14])[CH:8]=2)[N:27]2[N:28]=[C:2... | 2 |
ClC1=C(C=O)C(=CC=C1)C1=CC=NC=C1>c1ccncc1.Cl.NO>ClC1=C(C=NO)C(=CC=C1)C1=CC=NC=C1 | 3 |
FC1=CC=C(C=C2C(C3=C(C=CC=C3C2)C)=O)C=C1>CCO[H].[OH-].[Na+].Cl.NC(=N)N>FC1=CC=C(C=C1)C=1C2=C(N=C(N1)N)C1=C(C=CC=C1C2)C | 3 |
C([O:3][C:4](=[O:36])[C:5](=[CH:9][C:10]1[CH:15]=[CH:14][C:13]([O:16][C:17]2[C:26]3[C:21](=[CH:22][C:23]([O:27][CH3:28])=[CH:24][CH:25]=3)[CH:20]=[C:19]([CH3:29])[C:18]=2[C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)=[CH:12][CH:11]=1)[CH:6]([CH3:8])[CH3:7])C.[OH-].[Na+].CCO>C1COCC1>[CH3:13][O:16][C:17]1[CH:26]=[C:21](... | 1 |
[Cl:1][C:2]1[C:3]([F:31])=[C:4]([CH:8]2[C:12]([C:15]3[CH:20]=[CH:19][C:18]([Cl:21])=[CH:17][C:16]=3[F:22])([C:13]#[N:14])[CH:11]([CH2:23][C:24]([CH3:27])([CH3:26])[CH3:25])[NH:10][CH:9]2[C:28]([OH:30])=O)[CH:5]=[CH:6][CH:7]=1.CN(C(O[N:40]1N=N[C:42]2[CH:43]=[CH:44][CH:45]=[N:46][C:41]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[... | 1 |
CI.O=C1CC[C@H](N1C(=O)OC(C)(C)C)C(=O)OC>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].[Cl-].[NH4+]>CC1(C[C@H](N(C1=O)C(=O)OC(C)(C)C)C(=O)OC)C | 3 |
C(C1=CC=CC=C1)Br.C(C1=CC=CC=C1)OCCCC(C(C(=O)OCC)(F)F)O>C1CCCO1.[H-].[Na+]>C(C1=CC=CC=C1)OC(C(C(=O)OCC)(F)F)CCCOCC1=CC=CC=C1 | 3 |
NCCCCCCN.[CH2:9]([P:11]([CH2:18][CH2:19][CH:20]=[O:21])(=[O:17])[O:12][CH2:13][CH2:14][CH2:15][CH3:16])[CH3:10].[H][H]>[Ni].[OH-].[K+].O>[CH2:9]([P:11]([CH2:18][CH2:19][CH2:20][OH:21])(=[O:17])[O:12][CH2:13][CH2:14][CH2:15][CH3:16])[CH3:10] | 1 |
[F:1][C:2]1[CH:23]=[CH:22][C:5]2[C:6]([CH:9]3[CH2:14][CH2:13][N:12]([CH2:15][CH2:16]C(OCC)=O)[CH2:11][CH2:10]3)=[N:7][S:8][C:4]=2[CH:3]=1.[CH3:24][Mg]Br.[C:27]([OH:34])(=[O:33])/[CH:28]=[CH:29]/[C:30]([OH:32])=[O:31]>C1COCC1.CCOCC.O.CCOC(C)=O>[C:27]([OH:34])(=[O:33])/[CH:28]=[CH:29]/[C:30]([OH:32])=[O:31].[F:1][C:2]1[C... | 1 |
[C:1]([C:3]1[C:4]([NH:8][C:9](=[O:15])[O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[CH:5][S:6][CH:7]=1)#[N:2].Cl.[NH2:17][OH:18].C(N(CC)CC)C>CO>[NH2:2][C:1](=[N:17][OH:18])[C:3]1[C:4]([NH:8][C:9](=[O:15])[O:10][C:11]([CH3:12])([CH3:14])[CH3:13])=[CH:5][S:6][CH:7]=1 | 2 |
COC=1C=C(C=CC1OC)C=1C=CC=2N=CNC(C2N1)=O>>ClC=1C2=C(N=CN1)C=CC(=N2)C2=CC(=C(C=C2)OC)OC | 5 |
Cl.COC1=C(C=CC=C1)NN.CN(C=CC(=O)C1=NN(C=CC1=O)C1=CC(=CC=C1)C(F)(F)F)C>>COC1=C(C=CC=C1)N1N=CC=C1C1=NN(C=CC1=O)C1=CC(=CC=C1)C(F)(F)F | 5 |
[Br:1][C:2]1[C:3]([OH:11])=[C:4]([CH:7]=[C:8]([Cl:10])[CH:9]=1)C=O.C1C=C(Cl)C=C(C(OO)=[O:20])C=1.C(=O)(O)[O-].[Na+]>C(Cl)Cl.CO>[Br:1][C:2]1[CH:9]=[C:8]([Cl:10])[CH:7]=[C:4]([OH:20])[C:3]=1[OH:11] | 2 |
ClC1=C(C=C(C=C1)C1=NN(C2=C1CN(CC2)S(=O)(=O)C)CCCN2[C@H](COCC2)C)C#CC2=CC=C1CCNCC1=C2>ClCCl.CC(=O)C.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>ClC1=C(C=C(C=C1)C1=NN(C2=C1CN(CC2)S(=O)(=O)C)CCCN2[C@H](COCC2)C)C#CC2=CC=C1CCN(CC1=C2)C(C)C | 3 |
ClC1=C(C=CC(=C1)NC1=C(C=C(C=C1)F)F)C(=O)C1=C(C=CC(=C1)C#C[Si](C)(C)C)C>CO[H].C([O-])([O-])=O.[K+].[K+]>ClC1=C(C=CC(=C1)NC1=C(C=C(C=C1)F)F)C(=O)C1=C(C=CC(=C1)C#C)C | 3 |
C(C)(=O)NC=1SC=C(N1)C=CC=1C=C(C=CC1)CC(=O)O>C1CCCO1.CO[H].[Pd]>C(C)(=O)NC=1SC=C(N1)CCC=1C=C(C=CC1)CC(=O)O | 3 |
[F:1][C:2]1[CH:20]=[C:19]([N+:21]([O-])=O)[CH:18]=[CH:17][C:3]=1[N:4]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10]>CO.[Pd]>[F:1][C:2]1[CH:20]=[C:19]([NH2:21])[CH:18]=[CH:17][C:3]=1[N:4]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C... | 1 |
C(C=C)#N.CC1=C(C(=CC=C1)C)N1CCNCC1>CO[H].[HH]>CC1=C(C(=CC=C1)C)N1CCN(CC1)CCC#N | 3 |
[Si:1]([O:18][C@@H:19]1[C@H:24]([CH3:25])[C@H:23]([OH:26])[CH2:22][C@H:21]([C:27]([O:29][CH3:30])=[O:28])[CH2:20]1)([C:14]([CH3:17])([CH3:16])[CH3:15])([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:31]1([CH3:41])[CH:36]=[CH:35][C:34]([S:37](Cl)(=[O:39])=[O:38])=[CH:33][CH:32]=... | 1 |
[F:1][CH:2]([F:16])[C:3]1[CH:15]=[C:6]2[C:7]([CH2:13][OH:14])=[CH:8][CH:9]=[C:10]([O:11][CH3:12])[N:5]2[N:4]=1>ClCCl.[O-2].[O-2].[Mn+4]>[F:16][CH:2]([F:1])[C:3]1[CH:15]=[C:6]2[C:7]([CH:13]=[O:14])=[CH:8][CH:9]=[C:10]([O:11][CH3:12])[N:5]2[N:4]=1 | 2 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C@@H:8]([CH3:12])[C:9]([OH:11])=O)=[CH:4][CH:3]=1.[NH2:13][CH2:14][CH2:15][CH2:16][N:17]1[CH2:22][CH2:21][CH:20]([C:23]2[CH:24]=[C:25]([NH:30][C:31](=[O:35])[CH:32]([CH3:34])[CH3:33])[CH:26]=[CH:27][C:28]=2[CH3:29])[CH2:19][CH2:18]1>CO>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C@@H:8]([CH3:12])[C:... | 1 |
C(C)(=O)N1[C@H](C[C@H](C2=CC(=CC=C12)C1=NC=C(C(=O)OCC)C=C1)NC1=NC=C(C=C1)[N+](=O)[O-])C>CCO[H].[Pd].C(=O)[O-].[NH4+]>C(C)(=O)N1[C@H](C[C@H](C2=CC(=CC=C12)C1=NC=C(C(=O)OCC)C=C1)NC1=NC=C(C=C1)N)C | 3 |
CN1N=CC(=C1)B1OC(C(O1)(C)C)(C)C.C(C)(C)(C)OC(=O)N1CCC(CC1)OC1=C(C=C(C(=C1)C)Cl)[N+](=O)[O-]>O.O1CCOCC1.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(C)(C)(C)OC(=O)N1CCC(CC1)OC1=C(C=C(C(=C1)C)C=1C=NN(C1)C)[N+](=O)[O-] | 3 |
C(C=C)(=O)OCC.FC(S(=O)(=O)[O-])(F)F.[Sm+3].FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.ClC=1C(=C(C=CC1)C1NCC(C1(C#N)C1=C(C=C(C=C1)Cl)F)CC(C)(C)C)F>>C(C)OC(CCN1[C@@H]([C@@]([C@@H](C1)CC(C)(C)C)(C#N)C1=C(C=C(C=C1)Cl)F)C1=C(C(=CC=C1)Cl)F)=O | 5 |
[CH:1]1([C@H:5]([NH:10][C:11]2[N:19]=[C:18]([C:20]([O:22][CH3:23])=[O:21])[N:17]=[C:16]3[C:12]=2[N:13]([CH2:31][C:32]2[CH:37]=[CH:36][C:35]([C:38]([F:41])([F:40])[F:39])=[CH:34][CH:33]=2)[C:14]([C:24]2[CH:29]=[CH:28][CH:27]=[C:26]([CH3:30])[CH:25]=2)=[N:15]3)[CH2:6][CH2:7][CH2:8][OH:9])[CH2:4][CH2:3][CH2:2]1.O.CC1(C)N(... | 2 |
BrC1=CN=C(C=2N1C=CN2)Br.NC1=CC(=C(C(=O)NCC=2C=NC(=CC2)C)C=C1)OC>>BrC1=CN=C(C=2N1C=CN2)NC2=CC(=C(C(=O)NCC=1C=NC(=CC1)C)C=C2)OC | 5 |
FC(C(=O)OCC)(C1=CC=C(C=C1)C(F)(F)F)F>>FC(CO)(C1=CC=C(C=C1)C(F)(F)F)F | 5 |
FC(F)(F)C(O)=O.[F:8][C:9]1[CH:10]=[C:11]([CH:16]=[CH:17][C:18]=1[CH2:19][N:20]1[CH2:24][CH2:23][N:22]([CH:25]2[CH2:30][CH2:29][NH:28][CH2:27][CH2:26]2)[C:21]1=[O:31])[C:12]([O:14][CH3:15])=[O:13].F[C:33]1[C:38]([F:39])=[CH:37][C:36]([C:40]([F:43])([F:42])[F:41])=[CH:35][N:34]=1>CN(C=O)C.CCOC(C)=O>[F:8][C:9]1[CH:10]=[C:... | 2 |
C(C)(=O)N1CCN(CC1)C=1C=CC(=NC1)NC(CC1=CC(=C(C=C1)Br)C(F)(F)F)=O>>C(C)(=O)N1CCN(CC1)C=1C=CC(=NC1)NC(CC1=CC(=C(C=C1)B1OC(C(O1)(C)C)(C)C)C(F)(F)F)=O | 5 |
C(C)(C)(C)OC(=O)NCC=1C=C(C=CC1)C1CCN(CC1)C(=O)C=1C=C(C(=O)O)C=CC1.CC1(O[C@H]2[C@H](CNC2)O1)C>N(C)(C)C=O.c1ccncc1.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>CC1(O[C@H]2[C@H](CN(C2)C(=O)C=2C=C(C(=O)N3CCC(CC3)C=3C=C(CNC(OC(C)(C)C)=O)C=CC3)C=CC2)O1)C | 3 |
BrC=1C=CC(=NC1)NN.ClC1=CC=C(N=N1)C(C(=O)[O-])C.[Li+]>>BrC=1C=CC(=NC1)NNC(C(C)C=1N=NC(=CC1)Cl)=O | 5 |
[F:1][C:2]1[CH:24]=[CH:23][C:5]2[C:6]([CH:9]3[CH2:14][CH2:13][N:12]([CH2:15][CH2:16][C:17]([OH:22])([CH2:20][CH3:21])[CH2:18][CH3:19])[CH2:11][CH2:10]3)=[N:7][O:8][C:4]=2[CH:3]=1.[C:25]([Cl:36])(=[O:35])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34].C([O-])(O)=O.[Na+]>C(Cl)Cl>[ClH:36].[CH2:20]... | 1 |
BrC1=CC=2N=C(N=C(C2N=C1)Cl)Cl.C(#N)C[C@@H]1N(CCNC1)C(=O)OC(C)(C)C>O1CCOCC1.C(C)(C)N(C(C)C)CC>BrC1=CC=2N=C(N=C(C2N=C1)N1C[C@@H](N(CC1)C(=O)OC(C)(C)C)CC#N)Cl | 3 |
[OH-].[Na+].[Cl:3][C:4]1[C:9]2[O:10][CH2:11][CH2:12][O:13][C:8]=2[CH:7]=[C:6]([C:14]([C@H:16]2[CH2:18][C@@H:17]2[C:19]([O:21]C)=[O:20])=[O:15])[CH:5]=1.Cl>O1CCOCC1>[Cl:3][C:4]1[C:9]2[O:10][CH2:11][CH2:12][O:13][C:8]=2[CH:7]=[C:6]([C:14]([C@H:16]2[CH2:18][C@@H:17]2[C:19]([OH:21])=[O:20])=[O:15])[CH:5]=1 | 2 |
[NH2:1][C:2]1C(CCC)C(=O)C(CCC)[C:4](=[O:15])[C:3]=1[NH:16][C:17]([CH:19]1[CH2:28][CH2:27][C:26]2[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=2)[CH2:20]1)=O.[OH-].[K+].Cl.[CH2:32]([OH:34])C>>[CH2:2]([N:1]1[C:4](=[O:15])[C:3]2[N:16]=[C:17]([CH:19]3[CH2:28][CH2:27][C:26]4[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=4)[CH2:20]3)[NH:1][C... | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)O>>C(C)OC1CCN(CC1)C(=O)OC(C)(C)C | 5 |
NC1=C(C=C(C=C1)C(C1=CC=C(C=C1)Cl)=O)C(SCC(=O)O)C1=CC(=CC=C1)Cl>C1(=CC=CC=C1)C.[Mg+2].[O-]S([O-])(=O)=O>ClC1=CC=C(C(=O)C=2C=CC3=C(C(SCC(N3)=O)C3=CC(=CC=C3)Cl)C2)C=C1 | 3 |
BrCC1CC1.Cl.ClC1=C(C=CC(=C1)Cl)C1=CC=2N(C(N1)=O)N=C(N2)C2CCNCC2>>Cl.C1(CC1)CN1CCC(CC1)C1=NN2C(NC(=CC2=N1)C1=C(C=C(C=C1)Cl)Cl)=O | 5 |
C(C)OC(=O)C1CN(CCC1)C(=O)OC(C)(C)C.CC[Mg+].[Br-]>>Cl.N1CC(CCC1)C(CC)(CC)O | 5 |
CC1(CC=2C(NC=NC2CC1)=O)C>>ClC1=NC=NC=2CCC(CC12)(C)C | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2[C:14]([C:15]([NH:17][CH2:18][CH2:19][CH2:20][C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=3)=[O:16])=[C:13]([CH3:27])[N:12]=[C:11](SC)[N:10]=2)[CH:5]=[CH:6][C:7]=1[Cl:8].ClC1C=CC=C([C:37](OO)=[O:38])C=1.S(=O)(O)[O-].[Na+].C[O-].[Na+]>ClCCl>[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2[C:14]([C:15]([NH:... | 1 |
C(C)(C)(C)OC(C(C)(OC1=CC=C(C(=O)O)C=C1)C)=O.C(C)(C)(C)C1=CC=C(CN2N=C(N(C2=O)CCCCCC)CO)C=C1>>C(C)(C)(C)C1=CC=C(CN2N=C(N(C2=O)CCCCCC)COC(=O)C2=CC=C(OC(C(=O)O)(C)C)C=C2)C=C1 | 5 |
[CH2:1]([N:8]1[CH2:12][C@H:11]2[C:13]3[CH:14]=[CH:15][C:16](Br)=[C:17]([Cl:21])[C:18]=3[CH2:19][O:20][C@@:10]2([CH3:23])[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:24](=O)([O-])[O-].[K+].[K+].CB1OB(C)OB(C)O1>O1CCOCC1.O>[CH2:1]([N:8]1[CH2:12][C@H:11]2[C:13]3[CH:14]=[CH:15][C:16]([CH3:24])=[C:17]([Cl:21])[C:18]=... | 2 |
[N:1]1([CH2:7][CH2:8][NH2:9])[CH2:6][CH2:5][O:4][CH2:3][CH2:2]1.I[CH2:11][CH2:12][O:13][C:14]1[CH:19]=[CH:18][C:17]([CH2:20][C:21]2[CH:26]=[CH:25][C:24]([C:27]3[O:28][CH:29]=[CH:30][N:31]=3)=[CH:23][CH:22]=2)=[CH:16][CH:15]=1>ClCCl>[O:28]1[CH:29]=[CH:30][N:31]=[C:27]1[C:24]1[CH:23]=[CH:22][C:21]([CH2:20][C:17]2[CH:16]=... | 1 |
O(C(C)(C)C)C.C(C)(C)(C)OC(NC=C)=O.[Na].S(=O)(=O)(C1=CC=C(C)C=C1)NN=CC1=C(C=CC=C1)C1=CC=C(C=C1)F>>C(C)(C)(C)OC(N[C@H]1[C@H](C1)C1=CC=C(C=C1)F)=O | 5 |
Br[CH2:2][CH2:3][CH2:4][C:5]1C=C[CH:13]=[C:7]2[C:8]([NH:10][C:11](=[O:12])[C:6]=12)=O.[O-:16][CH2:17][CH3:18].[Na+].[O:20]1[CH:24]=[CH:23][N:22]=[C:21]1[SH:25]>C(O)C>[C:11]1(=[O:12])[N:10]([CH2:8][CH2:7][CH2:13][S:25][C:21]2[O:20][CH:24]=[CH:23][N:22]=2)[C:17](=[O:16])[C:18]2=[CH:2][CH:3]=[CH:4][CH:5]=[C:6]12 | 1 |
[CH3:1][C:2]1([CH3:26])[N:5]([CH2:6]/[CH:7]=[CH:8]/[C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[N:4]([CH:15]2[CH:22]3[CH2:23][CH:18]4[CH2:19][CH:20]([CH2:24][CH:16]2[CH2:17]4)[CH2:21]3)[C:3]1=[O:25]>C(OCC)(=O)C.[C].[Pd]>[CH3:1][C:2]1([CH3:26])[N:5]([CH2:6][CH2:7][CH2:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[N... | 1 |
C(#CCCC)C1=CN(C=2N=CN=C(C21)NC2CCOCC2)C=2C=C(C=CC2)C>CCO[H].[HH].[Pd]>C(CCCC)C1=CN(C=2N=CN=C(C21)NC2CCOCC2)C=2C=C(C=CC2)C | 3 |
ClC=1C=C2C(NC(N3C2=C(C1C1=C(C=C(C=C1)F)F)SCC3)=O)=O.N1[C@@H]2[C@H](NCC1)CS(C2)(=O)=O>CC#N.C([O-])([O-])=O.[K+].[K+].C1(=CC=C(C=C1)S(=O)(=O)Cl)C>ClC=1C=C2C(=NC(N3C2=C(C1C1=C(C=C(C=C1)F)F)SCC3)=O)N3[C@H]1[C@@H](NCC3)CS(C1)(=O)=O | 3 |
Cl[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][O:8][C:9](=[O:41])[C:10]([CH2:31][C:32]1[CH:37]=[CH:36][C:35]([N+:38]([O-:40])=[O:39])=[CH:34][CH:33]=1)([CH2:21][C:22]1[CH:27]=[CH:26][C:25]([N+:28]([O-:30])=[O:29])=[CH:24][CH:23]=1)[C:11]([O:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]Cl)=[O:12].[OH:42][C:43]1[CH:4... | 1 |
[F:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[CH:4][C:3]=1[C:9]1[N:13]=[C:12]([C:14]2[CH:15]=[N:16][CH:17]=[CH:18][CH:19]=2)[O:11][N:10]=1.[ClH:20]>C(OCC)(=O)C>[ClH:20].[F:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[CH:4][C:3]=1[C:9]1[N:13]=[C:12]([C:14]2[CH:15]=[N:16][CH:17]=[CH:18][CH:19]=2)[O:11][N:10]=1 | 1 |
COC(CC1=C(NC2=CC=CC=C12)C1=CC(=C(C=C1)Cl)S(=O)(=O)CC1=CC(=CC=C1)Cl)=O>O.C1CCCO1.CO[H].[OH-].[Li+]>ClC1=C(C=C(C=C1)C=1NC2=CC=CC=C2C1CC(=O)O)S(=O)(=O)CC1=CC(=CC=C1)Cl | 3 |
[C-]#N.[Na+].ClC=1C=CC(=C(C(=NOC)Cl)C1)OCC1=CC=C(C=C1)Cl>C(C)(=O)OCC.CS(=O)C>ClC=1C=CC(=C(C1)C(C#N)=NOC)OCC1=CC=C(C=C1)Cl | 3 |
Br[C:2]1[CH:3]=[C:4]([C:8]2[CH:17]=[CH:16][C:15]3[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=3)[CH:9]=2)[CH:5]=[CH:6][CH:7]=1.CCCCCC.C([Li])CCC.C([O:32][B:33](OC(C)C)[O:34]C(C)C)(C)C.Cl>C1(C)C=CC=CC=1>[CH:9]1[C:10]2[C:15](=[CH:14][CH:13]=[CH:12][CH:11]=2)[CH:16]=[CH:17][C:8]=1[C:4]1[CH:3]=[C:2]([B:33]([OH:34])[OH:32])[CH:7]=... | 2 |
Cl[C:2]1[CH:3]=[CH:4][C:5]([N+:9]([O-:11])=[O:10])=[C:6]([CH:8]=1)[NH2:7].[NH:12]1[CH2:17][CH2:16][O:15][CH2:14][CH2:13]1.C(=O)([O-])[O-].[K+].[K+]>CN(C)C(=O)C>[O:15]1[CH2:16][CH2:17][N:12]([C:2]2[CH:3]=[CH:4][C:5]([N+:9]([O-:11])=[O:10])=[C:6]([CH:8]=2)[NH2:7])[CH2:13][CH2:14]1 | 1 |
P([O:13][CH2:14][CH2:15][C@@H:16]1[CH2:20][CH2:19][CH2:18][N:17]1[CH2:21][CH2:22][CH2:23][O:24][C:25]1[CH:34]=[C:33]2[C:28]([C:29]([NH:35][C:36]3[CH:40]=[C:39]([CH2:41][C:42]([NH:44][C:45]4[CH:50]=[CH:49][CH:48]=[C:47]([F:51])[C:46]=4[F:52])=[O:43])[NH:38][N:37]=3)=[N:30][CH:31]=[N:32]2)=[CH:27][CH:26]=1)(OC(C)(C)C)(OC... | 2 |
[C:1]([O:5][C:6]([CH:8]1[C:13](O)(C)[CH2:12][CH2:11][CH2:10]N1S(C1C=CC(O)=CC=1)(=O)=O)=O)([CH3:4])([CH3:3])C.[C:26](=O)([O-])[O-].[Cs+].[Cs+].CN(C)C=O>C(OCC)(=O)C>[CH:6]([O:5][CH:1]([CH3:3])[CH3:4])([CH3:8])[CH3:26].[CH3:10][CH2:11][CH2:12][CH2:13][CH2:8][CH3:6] | 1 |
[Br-].[N:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[Zn+].Br[C:10]1[CH:17]=[CH:16][CH:15]=[C:14]([F:18])[C:11]=1[C:12]#[N:13].C1(P(C2CCCCC2)C2C=CC=CC=2C2C(C(C)C)=CC(C(C)C)=CC=2C(C)C)CCCCC1>O1CCCC1.C(OCC)(=O)C>[F:18][C:14]1[CH:15]=[CH:16][CH:17]=[C:10]([C:3]2[CH:4]=[CH:5][CH:6]=[CH:7][N:2]=2)[C:11]=1[C:12]#[N:13] | 2 |
[NH2:1][C:2]1[C:7]([C:8]([NH2:10])=[O:9])=[C:6]([N:11]2[CH2:16][CH2:15][CH:14]([C:17]3[N:18]([CH3:33])[CH:19]=[C:20]([C:22]4[CH:27]=[CH:26][C:25]([F:28])=[C:24]([C:29](F)(F)F)[CH:23]=4)[N:21]=3)[CH2:13][CH2:12]2)[N:5]=[CH:4][N:3]=1.NC1C(C#N)=C(N2CCC(C3N(C[CH2:63][NH:64][CH:65]4[CH2:69][CH2:68][CH2:67][CH2:66]4)C=C(C4C=... | 1 |
N(C1=CC=CC=C1)C1=CC(C=2C(=CC(=NC2N1C1=CC=CC=C1)SCC(=O)OCC)C(F)(F)F)=O>>N(C1=CC=CC=C1)C1=CC(C=2C(=CC(=NC2N1C1=CC=CC=C1)SCC(=O)O)C(F)(F)F)=O | 5 |
[CH3:1][Sn:2]([CH3:13])([CH3:12])[C:3]1[CH:4]=[C:5]([CH:9]=[CH:10][CH:11]=1)[C:6]([OH:8])=[O:7].C1(N=C=NC2CCCCC2)CCCCC1.O[N:30]1[C:34](=[O:35])[CH2:33][CH2:32][C:31]1=[O:36].C(OCC)(=O)C.CCCCCC>ClCCl>[O:36]=[C:31]1[CH2:32][CH2:33][C:34](=[O:35])[N:30]1[O:7][C:6](=[O:8])[C:5]1[CH:9]=[CH:10][CH:11]=[C:3]([Sn:2]([CH3:13])(... | 2 |
[F:1][C:2]([F:16])([F:15])[C:3]1[CH:4]=[C:5]([C:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH:14]=2)[CH:6]=[CH:7][CH:8]=1.C(N(CC)CC)C.[Cl-].[CH:25]1([C:28](O)=[O:29])[CH2:27][CH2:26]1>C(Cl)Cl.C(OCC)C>[F:16][C:2]([F:1])([F:15])[C:3]1[CH:4]=[C:5]([C:9]2[CH2:14][CH2:13][N:12]([C:28]([CH:25]3[CH2:27][CH2:26]3)=[O:29])[CH2:11][CH:1... | 1 |
COC(=O)C=1C(=C2C=C(C(N(C2=CN1)CC1=CC=CC=C1)=O)Br)O.C(CCC)[Sn](C1=C(C=CC(=C1)F)OC)(CCCC)CCCC>>COC(=O)C=1C(=C2C=C(C(N(C2=CN1)CC1=CC=CC=C1)=O)C1=C(C=CC(=C1)F)OC)O | 5 |
[C-]#[C-].[Na+].[Na+].C(C)OC(C#CCCOCOC)OCC>N(C)(C)C=O.O>C(C)OC(C#CC=C)OCC | 3 |
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