smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)C1=C(N=C(S1)C1=CC=C(C=C1)C(F)(F)F)CCOC=1C=C2C=CN(C2=CC1)CC(=O)O>C1(=CC=NC=C1)N(C)C.ClCCl.C(C)(C)N(C(C)C)CC.Cl.CN(CCCN=C=NCC)C.CS(=O)(=O)N>C(C)C1=C(N=C(S1)C1=CC=C(C=C1)C(F)(F)F)CCOC=1C=C2C=CN(C2=CC1)CC(=O)NS(=O)(=O)C | 3 |
C(C)=O.O=C1CCCC12CCN(CC2)C(=O)OC(C)(C)C>C(C)(C)[N-]C(C)C.[Li+]>OC(C)C1C(C2(CC1)CCN(CC2)C(=O)OC(C)(C)C)=O | 3 |
CON(C)[C:4](=[O:15])[C@@H:5]([NH:7][C:8](=[O:14])[O:9][C:10]([CH3:13])([CH3:12])[CH3:11])[CH3:6].C([Mg]Cl)(C)C.Br[C:23]1[CH:24]=[N:25][C:26]2[C:31]([CH:32]=1)=[CH:30][CH:29]=[CH:28][CH:27]=2.Cl>C1COCC1.C1COCC1.CCCCCC.CCOC(C)=O>[O:15]=[C:4]([C:23]1[CH:24]=[N:25][C:26]2[C:31]([CH:32]=1)=[CH:30][CH:29]=[CH:28][CH:27]=2)[C@@H:5]([NH:7][C:8](=[O:14])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH3:6] | 1 |
I[C:2]1[C:7]([NH:8][C:9](=[O:14])[C:10]([F:13])([F:12])[F:11])=[C:6]([O:15][CH:16]([CH3:18])[CH3:17])[C:5]([O:19][CH3:20])=[CH:4][CH:3]=1.[CH:21](N(CC)C(C)C)([CH3:23])[CH3:22].C#CC>CN(C=O)C.[Cu]I>[CH:16]([O:15][C:6]1[C:5]([O:19][CH3:20])=[CH:4][CH:3]=[C:2]([C:22]#[C:21][CH3:23])[C:7]=1[NH:8][C:9](=[O:14])[C:10]([F:13])([F:12])[F:11])([CH3:18])[CH3:17] | 1 |
ClC1=NC=C(N=C1)Cl.C(C)(C)(C)OC(=O)N1C2CNCC1C2>O.CS(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC=1N=CC(=NC1)N1CC2N(C(C1)C2)C(=O)OC(C)(C)C | 3 |
[Si:1]([O:8][C:9]1[CH:10]=[C:11]([CH:14]=[CH:15][C:16]=1[O:17][CH3:18])[CH:12]=O)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].Cl.[NH2:20][C:21]([CH3:28])([CH3:27])[C:22]([O:24][CH2:25][CH3:26])=[O:23]>>[Si:1]([O:8][C:9]1[CH:10]=[C:11]([CH:14]=[CH:15][C:16]=1[O:17][CH3:18])[CH2:12][NH:20][C:21]([CH3:28])([CH3:27])[C:22]([O:24][CH2:25][CH3:26])=[O:23])([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2] | 1 |
C(=O)(OC(C)(C)C)N1CCNCC1.ClCCCCCN1C2=NC(=NC(=C2N=C1OC)N)O[C@H](CCC)C>N(C)(C)C=O.CCN(CC)CC.[I-].[Na+]>NC1=C2N=C(N(C2=NC(=N1)O[C@H](CCC)C)CCCCCN1CCN(CC1)C(=O)OC(C)(C)C)OC | 3 |
OC1=NN(C=C1CC(=O)OC)C.C(C)OC1=NN(C=C1CCCO)C1=NC=C(C=C1)C(F)(F)F>C1CCCO1.C(CCC)P(CCCC)CCCC.C1CCN(CC1)C(=O)N=NC(=O)N2CCCCC2>C(C)OC1=NN(C=C1CCCOC1=NN(C=C1CC(=O)O)C)C1=NC=C(C=C1)C(F)(F)F | 3 |
C1(=CC=C(C=C1)CCO)C>C1CCCCC1>C1(CCCCC1)OCCC1=CC=C(C=C1)C | 3 |
FC=1C=C(C=CC1C=1OC(=CC1)C)S(=O)(=O)NC=1C=CC(=C(C1)NC(C(C)(C)NC(OC(C)(C)C)=O)=O)OC>Cl.O1CCOCC1>Cl.FC=1C=C(C=CC1C=1OC(=CC1)C)S(=O)(=O)NC=1C=CC(=C(C1)NC(C(N)(C)C)=O)OC | 3 |
C([NH:9][C:10]1[N:18]=[CH:17][N:16]=[C:15]2[C:11]=1[N:12]=[CH:13][N:14]2[C@@H:19]1[O:24][C@H:23]([C:25]([OH:27])=[O:26])[C@@H:22]([NH:28][C:29](=[O:38])[C@@H:30]([C:32]2[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=2)[OH:31])[C@H:20]1[OH:21])(=O)C1C=CC=CC=1.C(N)CCC>>[NH2:9][C:10]1[N:18]=[CH:17][N:16]=[C:15]2[C:11]=1[N:12]=[CH:13][N:14]2[C@@H:19]1[O:24][C@H:23]([C:25]([OH:27])=[O:26])[C@@H:22]([NH:28][C:29](=[O:38])[C@@H:30]([C:32]2[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=2)[OH:31])[C@H:20]1[OH:21] | 1 |
Cl[C:2]1[N:7]=[C:6]([NH:8][CH:9]2[CH2:11][CH2:10]2)[N:5]=[C:4]([C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([C:18]#[N:19])[CH:13]=2)[C:3]=1[C:20]#[N:21].[SH:22][CH2:23][C:24]([NH2:26])=[O:25].C(=O)([O-])[O-].[Na+].[Na+].[O-]CC.[Na+]>C(O)C>[NH2:21][C:20]1[C:3]2[C:4]([C:12]3[CH:17]=[CH:16][CH:15]=[C:14]([C:18]#[N:19])[CH:13]=3)=[N:5][C:6]([NH:8][CH:9]3[CH2:11][CH2:10]3)=[N:7][C:2]=2[S:22][C:23]=1[C:24]([NH2:26])=[O:25] | 2 |
Cl[C:2]1[CH:11]=[C:10]([Cl:12])[C:9]2[C:4](=[CH:5][C:6]([S:13][C:14]3[CH:15]=[C:16]([C:20]4([C:26]#[N:27])[CH2:25][CH2:24][O:23][CH2:22][CH2:21]4)[CH:17]=[CH:18][CH:19]=3)=[CH:7][CH:8]=2)[N:3]=1.[C:28](=[NH:41])([C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1)[C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1.CC(C)([O-])C.[Na+].C1C=CC(P(C2C(C3C(P(C4C=CC=CC=4)C4C=CC=CC=4)=CC=C4C=3C=CC=C4)=C3C(C=CC=C3)=CC=2)C2C=CC=CC=2)=CC=1>C1(C)C=CC=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd]>[C:28](=[N:41][C:2]1[CH:11]=[C:10]([Cl:12])[C:9]2[C:4](=[CH:5][C:6]([S:13][C:14]3[CH:15]=[C:16]([C:20]4([C:26]#[N:27])[CH2:21][CH2:22][O:23][CH2:24][CH2:25]4)[CH:17]=[CH:18][CH:19]=3)=[CH:7][CH:8]=2)[N:3]=1)([C:35]1[CH:36]=[CH:37][CH:38]=[CH:39][CH:40]=1)[C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1 | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)(=O)OC1=CC=C2CCNCC2=C1>ClCCl.CCN(CC)CC>C(C)(C)(C)OC(=O)N1CC2=CC(=CC=C2CC1)O | 3 |
[Br:1][C:2]1[CH:9]=[CH:8][C:5]([CH:6]=O)=[C:4]([O:10][C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[CH:3]=1.[N:17]1([C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]1.ClCCl.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>O>[Br:1][C:2]1[CH:9]=[CH:8][C:5]([CH2:6][N:20]2[CH2:19][CH2:18][N:17]([C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH2:22][CH2:21]2)=[C:4]([O:10][C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[CH:3]=1 | 1 |
ClC1=C(C=CC=C1)C1=CC(=NN1C=1C=NC(=CC1)C1=CC(=CC=C1)S(=O)(=O)C)C(=O)OC>>ClC1=C(C=CC=C1)C1=CC(=NN1C=1C=NC(=CC1)C1=CC(=CC=C1)S(=O)(=O)C)C(C)=O | 5 |
Cl[C:2]1[N:7]=[C:6]([NH:8][CH2:9][CH2:10][CH3:11])[N:5]=[C:4]([NH:12][CH2:13][CH2:14][CH3:15])[N:3]=1.Cl.[CH2:17]([O:19][NH:20][CH3:21])[CH3:18]>>[CH2:13]([NH:12][C:4]1[N:5]=[C:6]([NH:8][CH2:9][CH2:10][CH3:11])[N:7]=[C:2]([N:20]([CH3:21])[O:19][CH2:17][CH3:18])[N:3]=1)[CH2:14][CH3:15] | 1 |
ClC=1C=CC(=NC1)I>>ClC=1C=CC(=NC1)C(F)(F)F | 5 |
FC1=C2C(CCN3C2=C(C=C1)C=CC3=O)=O.[Cl-].COC=C1C(C=CC=C1)[PH+](C1=CC=CC=C1)C1=CC=CC=C1>>FC1=C2C(CCN3C2=C(C=C1)C=CC3=O)=COC | 5 |
[C:1]([C:5]1[CH:12]=[CH:11][CH:10]=[C:7](C=O)[C:6]=1[OH:13])([CH3:4])([CH3:3])[CH3:2].[CH2:14]=[O:15].[ClH:16].[C:17]([O-])([O-])=O.[Na+].[Na+]>>[C:1]([C:5]1[CH:12]=[C:11]([CH2:17][Cl:16])[CH:10]=[C:7]([CH:14]=[O:15])[C:6]=1[OH:13])([CH3:2])([CH3:3])[CH3:4] | 1 |
COC(=O)C1N(CC(C1)N(C(C(F)(F)F)=O)C)C(=O)OC(C)(C)C>CO[H].C([O-])([O-])=O.[K+].[K+]>COC(=O)C1N(CC(C1)NC)C(=O)OC(C)(C)C | 3 |
COC(C1=CC(=C(C=C1)OC)OCCCO)=O>>OCCCOC=1C=C(C(=O)O)C=CC1OC | 5 |
BrC=1N=C2N(N1)[C@@H](C[C@@H]2F)C2=CC=CC=C2.[Si](C)(C)(C(C)(C)C)OCC1(CC1)C(=O)N(C)OC>C1CCCO1.[Cl-].[NH4+].CCCCCC.CCCC(C)C.CCC(C)CC>[Si](C)(C)(C(C)(C)C)OCC1(CC1)C(=O)C=1N=C2N(N1)[C@@H](C[C@@H]2F)C2=CC=CC=C2 | 3 |
[Cl-].COC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.BrC=1C=CC2=C(N(C(=N2)C2CC(C2)=O)C)C1>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>BrC=1C=CC2=C(NC(=N2)C2CC(C2)=COC)C1 | 3 |
[CH2:1]([O:8][C:9]1[CH:16]=[CH:15][C:14]([Br:17])=[CH:13][C:10]=1[CH:11]=[O:12])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:18]1COCC1.C[Mg]Br.O>C(OCC)C>[CH2:1]([O:8][C:9]1[CH:16]=[CH:15][C:14]([Br:17])=[CH:13][C:10]=1[CH:11]([OH:12])[CH3:18])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
C1(=CC=C(C=C1)S(=O)(=O)OC[C@H]1CO1)C.OC1=C(C=O)C=C(C=C1)C(F)(F)F>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>O1[C@H](C1)COC1=C(C=O)C=C(C=C1)C(F)(F)F | 3 |
FC1=NC=CC=C1C(=O)O>N(C)(C)C=O.C1CCCO1.C(C(=O)Cl)(=O)Cl>FC1=NC=CC=C1C(=O)Cl | 3 |
[CH3:1][CH:2]([C:4]1[N:8]=[C:7]([N:9]2[CH2:14][CH2:13][CH:12]([CH2:15][O:16][C:17]3[CH:22]=[CH:21][C:20]([C:23]4[CH:28]=[CH:27][C:26]([S:29]([NH:32][CH2:33][CH2:34][NH:35]C(=O)OC(C)(C)C)(=[O:31])=[O:30])=[CH:25][CH:24]=4)=[CH:19][CH:18]=3)[CH2:11][CH2:10]2)[O:6][N:5]=1)[CH3:3].[C:43]([OH:49])([C:45]([F:48])([F:47])[F:46])=[O:44]>C(Cl)Cl>[C:43]([OH:49])([C:45]([F:48])([F:47])[F:46])=[O:44].[F:46][C:45]([F:48])([F:47])[C:43]([OH:49])=[O:44].[NH2:35][CH2:34][CH2:33][NH:32][S:29]([C:26]1[CH:27]=[CH:28][C:23]([C:20]2[CH:19]=[CH:18][C:17]([O:16][CH2:15][CH:12]3[CH2:11][CH2:10][N:9]([C:7]4[O:6][N:5]=[C:4]([CH:2]([CH3:3])[CH3:1])[N:8]=4)[CH2:14][CH2:13]3)=[CH:22][CH:21]=2)=[CH:24][CH:25]=1)(=[O:30])=[O:31] | 2 |
P(=O)(OCC=C)(OCC=C)OCC1=C(C=CC=C1OC)CO[Si](C)(C)C(C)(C)C>>P(=O)(OCC=C)(OCC=C)OCC1=C(C=CC=C1OC)CO | 5 |
O=CC1=CC(OC)=C(O)C=C1.ClCC=1N=C(OC1C)C=1C=C(C#N)C=CC1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(=O)C1=CC(=C(OCC=2N=C(OC2C)C=2C=C(C#N)C=CC2)C=C1)OC | 3 |
FC(C)(F)C1CC(CC1)C1=NN(C=C1)COC>CO[H].Cl>FC(C)(F)C1CC(CC1)C1=NNC=C1 | 3 |
ClC(COC(NC1=CC=C(C=C1)[C@H]1[C@@H](C1)N(CC1CC1)C(=O)OC(C)(C)C)=O)(Cl)Cl>>NC1=CC=C(C=C1)[C@H]1[C@@H](C1)N(C(OC(C)(C)C)=O)CC1CC1 | 5 |
C(CC(=O)C)(=O)OCC.FC(COC1=CC(=NN1)N)(F)F>>FC(COC1=NN2C(N=C(C=C2O)C)=C1)(F)F | 5 |
ClC(OC(Cl)C)=O.C([N:15]1[CH2:20][CH2:19][N:18]([C:21]2[CH:26]=[N:25][CH:24]=[C:23]([Cl:27])[N:22]=2)[CH:17]([CH2:28][CH3:29])[CH2:16]1)C1C=CC=CC=1>ClCCl>[Cl:27][C:23]1[N:22]=[C:21]([N:18]2[CH2:19][CH2:20][NH:15][CH2:16][CH:17]2[CH2:28][CH3:29])[CH:26]=[N:25][CH:24]=1 | 1 |
[OH:1][CH2:2][C:3]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[C:6]([C:13]([OH:15])=[O:14])=[CH:5][CH:4]=1.[CH3:16]O>C(OCC)(=O)C.CCCCCC>[OH:1][CH2:2][C:3]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[C:6]([C:13]([O:15][CH3:16])=[O:14])=[CH:5][CH:4]=1 | 1 |
C1(=CC=CC2=CC=CC=C12)CO>CC#N.[Cu]Br.CC(C)(C)N1N(C1=O)C(C)(C)C>C1(=CC=CC2=CC=CC=C12)C=O | 3 |
[C:1]1([CH3:38])[C:2]([C:7]([CH2:9][N:10]2[C:16]3[CH:17]=[C:18]([CH3:21])[CH:19]=[CH:20][C:15]=3[NH:14][CH2:13][CH:12]([NH:22][C:23]([NH:25][C:26]3[CH:31]=[CH:30][CH:29]=[C:28]([C:32]([O:34][CH2:35][CH3:36])=[O:33])[CH:27]=3)=[O:24])[C:11]2=[O:37])=[O:8])=[CH:3][CH:4]=[CH:5][CH:6]=1.[CH3:39][CH:40]([CH2:44][CH2:45][CH3:46])[C:41](Cl)=[O:42].N1C=CC=CC=1.O>ClCCCl.C(OCC)(=O)C>[C:1]1([CH3:38])[C:2]([C:7]([CH2:9][N:10]2[C:16]3[CH:17]=[C:18]([CH3:21])[CH:19]=[CH:20][C:15]=3[N:14]([C:41](=[O:42])[CH:40]([CH3:39])[CH2:44][CH2:45][CH3:46])[CH2:13][CH:12]([NH:22][C:23]([NH:25][C:26]3[CH:31]=[CH:30][CH:29]=[C:28]([C:32]([O:34][CH2:35][CH3:36])=[O:33])[CH:27]=3)=[O:24])[C:11]2=[O:37])=[O:8])=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
[O:1]([C:8]1[CH:9]=[C:10]([CH:13]=[CH:14][CH:15]=1)[CH2:11][NH2:12])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[S:16]1[C:20]2[CH:21]=[C:22]([C:25](O)=[O:26])[CH:23]=[CH:24][C:19]=2[N:18]=[CH:17]1.F[P-](F)(F)(F)(F)F.N1(O[P+](N(C)C)(N(C)C)N(C)C)C2C=CC=CC=2N=N1.C(N(CC)CC)C>O1CCCC1>[O:1]([C:8]1[CH:9]=[C:10]([CH:13]=[CH:14][CH:15]=1)[CH2:11][NH:12][C:25]([C:22]1[CH:23]=[CH:24][C:19]2[N:18]=[CH:17][S:16][C:20]=2[CH:21]=1)=[O:26])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
COCCOCC=1C=C(C=NC1)S(=O)(=N)C1=CC=C(C(=O)OC)C=C1>O.O[Li].O>COCCOCC=1C=C(C=NC1)S(=O)(=N)C1=CC=C(C(=O)O)C=C1 | 3 |
[CH3:1][C@@:2]12[CH:10](C(C([O-])=O)=C)[CH2:9][C@H:5]([C:6]1([CH3:8])[CH3:7])[CH2:4][CH2:3]2.[CH2:16]=[CH:17][C:18]([O:20]CCCCCCOC(C=C)=O)=[O:19].C(OCC(COC(=O)C=C)(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)COC(=O)C=C)(=O)C=C.C(O)(=O)C=C.NC(OCC)=O.C(C(N(C)C)(CC)C(C1C=CC(N2CCOCC2)=CC=1)=O)C1C=CC=CC=1.CC1C=C(C)C(C(C2(O)CCCCC2)=O)=C(C)C=1.C1(C(C2(O)CCCCC2)=O)C=CC=CC=1.CC1C=C(C)C=C(C)C=1C(P(=O)(C(=O)C1C(C)=CC(C)=CC=1C)C1C=CC=CC=1)=O.CC1C=C(C)C=C(C)C=1C(P(=O)(C1C=CC=CC=1)C1C=CC=CC=1)=O.C(C1C2C(=O)C3C(=CC=CC=3)SC=2C=CC=1)(C)C>>[CH3:1][C@@:2]12[CH:10]([O:20][C:18]([CH:17]=[CH2:16])=[O:19])[CH2:9][C@@H:5]([C:6]1([CH3:7])[CH3:8])[CH2:4][CH2:3]2 | 2 |
[C:1]([O:10][CH2:11][CH3:12])(=[O:9])/[CH:2]=[CH:3]\[C:4]([O:6][CH2:7][CH3:8])=[O:5].[C:13]1([NH:19][OH:20])[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1>C(O)C>[C:13]1([N:19]([OH:20])[C@H:3]([C:4]([O:6][CH2:7][CH3:8])=[O:5])[CH2:2][C:1]([O:10][CH2:11][CH3:12])=[O:9])[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1 | 1 |
C(C1=CC=CC=C1)N1CC(CC1=O)NC(OC(C)(C)C)=O>>Cl.NC1CC(N(C1)CC1=CC=CC=C1)=O | 5 |
C(C)OC(C(C)C=1N=C(SC1C)C=1C=NC(=CC1)C1=C(C=CC=C1)F)=O>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>FC1=C(C=CC=C1)C1=CC=C(C=N1)C=1SC(=C(N1)C(CO)C)C | 3 |
C(C)(C)(C)OC(NC1=CC=C(C2=CC=CC=C12)O)=O.ClC1=CC(OC=C1)=O>>C(C)(C)(C)OC(NC1=CC=C(C2=CC=CC=C12)OC1=CC(OC=C1)=O)=O | 5 |
[CH3:1][O:2][C:3]1[C:4]([O:29][CH2:30][C:31]([F:34])([F:33])[F:32])=[CH:5][C:6]2[CH2:15][CH:14]([C:16]([CH3:21])([CH3:20])[CH2:17][O:18][CH3:19])[N:13]3[C:8](=[CH:9][C:10](=[O:27])[C:11]([C:22]([O:24]CC)=[O:23])=[CH:12]3)[C:7]=2[CH:28]=1.[Li+].[OH-].Cl>C1COCC1.C(O)C>[CH3:1][O:2][C:3]1[C:4]([O:29][CH2:30][C:31]([F:32])([F:34])[F:33])=[CH:5][C:6]2[CH2:15][CH:14]([C:16]([CH3:21])([CH3:20])[CH2:17][O:18][CH3:19])[N:13]3[C:8](=[CH:9][C:10](=[O:27])[C:11]([C:22]([OH:24])=[O:23])=[CH:12]3)[C:7]=2[CH:28]=1 | 2 |
CSC(=C(C#N)C(C1=CC(=CC=C1)C(F)(F)F)=O)SC>>C(C)OC(=C(C#N)C(C1=CC(=CC=C1)C(F)(F)F)=O)OCC | 5 |
CI.N#CN.[Na].ClC1=C(C(=CC(=C1)N=C=S)Cl)C1=CC=C(C=C1)OCCCC#N>CO[H]>C(#N)\N=C(\NC1=CC(=C(C(=C1)Cl)C1=CC=C(C=C1)OCCCC#N)Cl)/SC | 3 |
C[O:2][C:3]([C:5]1([CH2:15][CH3:16])[CH2:9][C:8]2[CH:10]=[C:11]([OH:14])[CH:12]=[CH:13][C:7]=2[O:6]1)=[O:4].[Cl:17][C:18]1[CH:23]=[C:22]([CH2:24][C:25]([F:28])([F:27])[F:26])[CH:21]=[CH:20][C:19]=1[O:29][CH2:30][CH2:31][CH2:32]I>>[Cl:17][C:18]1[CH:23]=[C:22]([CH2:24][C:25]([F:26])([F:28])[F:27])[CH:21]=[CH:20][C:19]=1[O:29][CH2:30][CH2:31][CH2:32][O:14][C:11]1[CH:12]=[CH:13][C:7]2[O:6][C@:5]([CH2:15][CH3:16])([C:3]([OH:2])=[O:4])[CH2:9][C:8]=2[CH:10]=1 | 1 |
C(C=C)I.ClC1=CC=C(OC2=CC=C(C=C2)N2C(CC[C@@H]2C2=CC(=CC=C2)C(F)(F)F)=O)C=C1>>ClC1=CC=C(OC2=CC=C(C=C2)N2C([C@H](C[C@@H]2C2=CC(=CC=C2)C(F)(F)F)CC=C)=O)C=C1 | 5 |
CN(C(=S)Cl)C.C(CCC)OC(=O)C=1N=CC2=CC(=CC=C2C1O)OC1=CC=CC=C1>N(C)(C)C=O.N12CCN(CC1)CC2>C(CCC)OC(=O)C=1N=CC2=CC(=CC=C2C1OC(N(C)C)=S)OC1=CC=CC=C1 | 3 |
Br[C:2]1[N:3]=[CH:4][C:5]([NH2:8])=[N:6][CH:7]=1.C([Sn](CCCC)(CCCC)[C:14]1[S:15][CH:16]=[CH:17][N:18]=1)CCC>C1COCC1.CCOC(C)=O.[Cu]I.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.Cl[Pd]Cl>[S:15]1[CH:16]=[CH:17][N:18]=[C:14]1[C:2]1[N:3]=[CH:4][C:5]([NH2:8])=[N:6][CH:7]=1 | 2 |
F[C:2]1[CH:9]=[CH:8][CH:7]=[CH:6][C:3]=1[CH:4]=[O:5].[CH2:10]1[C:14]2([CH2:18][CH2:17][NH:16][CH2:15]2)[CH2:13][CH2:12][N:11]1C(OC(C)(C)C)=O>>[CH2:10]1[C:14]2([CH2:18][CH2:17][NH:16][CH2:15]2)[CH2:13][CH2:12][N:11]1[C:2]1[CH:9]=[CH:8][CH:7]=[CH:6][C:3]=1[CH:4]=[O:5] | 2 |
[N:1]1([CH2:7][CH2:8][CH2:9][O:10][C:11]2[CH:18]=[CH:17][C:14]([CH:15]=O)=[CH:13][CH:12]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[C:19]1([CH:25]=[CH:26][CH2:27][N:28]2[CH2:33][CH2:32][NH:31][CH2:30][CH2:29]2)[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].[OH-].[Na+].[CH2:50]([Cl:52])[Cl:51]>C(O)(=O)C>[NH3:1].[CH2:50]([Cl:52])[Cl:51].[C:19]1([CH:25]=[CH:26][CH2:27][N:28]2[CH2:29][CH2:30][N:31]([CH2:15][C:14]3[CH:17]=[CH:18][C:11]([O:10][CH2:9][CH2:8][CH2:7][N:1]4[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]4)=[CH:12][CH:13]=3)[CH2:32][CH2:33]2)[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1 | 1 |
CN(CCCN)C.FC1=CC(=C(C=C1)NC=1C2=C(N=CN1)SC(=C2C)C(=O)O)O[C@@H]2CC[C@H](CC2)N(C(C)=O)C>>CN(CCCNC(=O)C1=C(C2=C(N=CN=C2NC2=C(C=C(C=C2)F)O[C@@H]2CC[C@H](CC2)N(C(C)=O)C)S1)C)C | 3 |
CI.BrC1=CC2=C(N(N=C2C=C1NS(=O)(=O)C)C1=CC=C(C=C1)F)C(=O)NC>>BrC1=CC2=C(N(N=C2C=C1N(S(=O)(=O)C)C)C1=CC=C(C=C1)F)C(=O)NC | 5 |
BrCCC[C@H](CC(=O)OCC)C.CC1=CN=C(N1CC1=C(C=CC=C1)O)C1=CC=C(C=C1)OC(F)(F)F>N(C)(C)C=O.CC(C)(C)[O-].[K+]>C[C@@H](CC(=O)OCC)CCCOC1=C(C=CC=C1)CN1C(=NC=C1C)C1=CC=C(C=C1)OC(F)(F)F | 3 |
[C:1]([N:4]1[C:8]([CH:9]2[CH2:11][CH2:10]2)=[CH:7][C:6]([NH:12][C:13]2[C:18](Br)=[CH:17][N:16]=[C:15]([C:20]3[S:24][C:23]([S:25]([NH:28][CH2:29][CH2:30][N:31]([CH3:33])[CH3:32])(=[O:27])=[O:26])=[CH:22][CH:21]=3)[N:14]=2)=[N:5]1)(=[O:3])[CH3:2].CCN(CC)CC.[C:41]([Si:43]([CH3:46])([CH3:45])[CH3:44])#[CH:42]>Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Cu]I.C1COCC1>[C:1]([N:4]1[C:8]([CH:9]2[CH2:11][CH2:10]2)=[CH:7][C:6]([NH:12][C:13]2[C:18]([C:42]#[C:41][Si:43]([CH3:46])([CH3:45])[CH3:44])=[CH:17][N:16]=[C:15]([C:20]3[S:24][C:23]([S:25]([NH:28][CH2:29][CH2:30][N:31]([CH3:33])[CH3:32])(=[O:27])=[O:26])=[CH:22][CH:21]=3)[N:14]=2)=[N:5]1)(=[O:3])[CH3:2] | 1 |
CC1(C)C(C)(C)OB([C:9]2[CH:10]=[C:11]3[C:16](=[CH:17][CH:18]=2)[N:15]=[C:14]([NH2:19])[N:13]=[CH:12]3)O1.Cl[C:22]1[CH:23]=[C:24]([CH:26]=[CH:27][C:28]=1[O:29][CH3:30])[NH2:25].O.P([O-])([O-])([O-])=O.[K+].[K+].[K+].C1(P(C2CCCCC2)C2C=CC=CC=2C2C(OC)=CC=CC=2OC)CCCCC1>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C1(C)C=CC=CC=1>[NH2:25][C:24]1[CH:23]=[CH:22][C:28]([O:29][CH3:30])=[C:27]([C:9]2[CH:10]=[C:11]3[C:16](=[CH:17][CH:18]=2)[N:15]=[C:14]([NH2:19])[N:13]=[CH:12]3)[CH:26]=1 | 2 |
O[C@@H]1[C@H](OC2=C(NC1=O)C=CC=C2)C2=CC=CC=C2>>N(=[N+]=[N-])[C@H]1[C@H](OC2=C(NC1=O)C=CC=C2)C2=CC=CC=C2 | 5 |
NC1=CC=C(C=N1)/C=C/C(=O)O.C1CC2=CC=C(C3=CC=CC1=C23)CNC>>Cl.C1CC2=CC=C(C3=CC=CC1=C23)CN(C(\C=C\C=2C=NC(=CC2)N)=O)C | 5 |
Cl.FC1(CNCC1)F.ClC1=C2C(=NC(=C1C#N)Cl)NN=C2>O.CCN(CC)CC.C(C)(C)O>ClC1=C(C(=C2C(=N1)NN=C2)N2CC(CC2)(F)F)C#N | 3 |
CC1=CC=C(S1)S(=O)(=O)Cl.CC=1C(=NOC1C)N>C1(=CC=NC=C1)N(C)C.ClCCl.c1ccncc1>CC=1C(=NOC1C)NS(=O)(=O)C=1SC(=CC1)C | 3 |
C1(=CC=CC=C1)C(C(=O)O)C>CCO[H].Cl>C1(=CC=CC=C1)C(C(=O)OCC)C | 3 |
C(C)(=O)N1C(CC1)C1=CC=C(C=C1)C=1C=C2C(=CNC2=CC1Cl)C(=O)OC>CO[H].[OH-].[Na+]>C(C)(=O)N1C(CC1)C1=CC=C(C=C1)C=1C=C2C(=CNC2=CC1Cl)C(=O)O | 3 |
[Br:1][C:2]1[C:7]([F:8])=[CH:6][C:5]([F:9])=[CH:4][C:3]=1[F:10].OS(O)(=O)=O.[N+:16]([O-])([OH:18])=[O:17]>>[Br:1][C:2]1[C:7]([F:8])=[CH:6][C:5]([F:9])=[C:4]([N+:16]([O-:18])=[O:17])[C:3]=1[F:10] | 1 |
[O:1]=[C:2]1[C:10]2[C:5](=[C:6]([N:11]3[CH2:16][CH2:15][CH2:14][C@@H:13]([C:17](O)=[O:18])[CH2:12]3)[CH:7]=[CH:8][CH:9]=2)[C:4](=[O:20])[N:3]1[CH2:21][C:22]1[CH:27]=[CH:26][N:25]=[CH:24][CH:23]=1.[F:28][C:29]([F:40])([F:39])[O:30][C:31]1[CH:38]=[CH:37][CH:36]=[CH:35][C:32]=1[CH2:33][NH2:34].F[P-](F)(F)(F)(F)F.N1(O[P+](N(C)C)(N(C)C)N(C)C)C2C=CC=CC=2N=N1>C1COCC1.C([O-])(O)=O.[Na+].O>[F:28][C:29]([F:39])([F:40])[O:30][C:31]1[CH:38]=[CH:37][CH:36]=[CH:35][C:32]=1[CH2:33][NH:34][C:17]([C@@H:13]1[CH2:14][CH2:15][CH2:16][N:11]([C:6]2[CH:7]=[CH:8][CH:9]=[C:10]3[C:5]=2[C:4](=[O:20])[N:3]([CH2:21][C:22]2[CH:23]=[CH:24][N:25]=[CH:26][CH:27]=2)[C:2]3=[O:1])[CH2:12]1)=[O:18] | 2 |
NC1=CC=C(CO)C=C1.COC=C1C(NC(C2=CC=CC=C12)=O)=O>N(C)(C)C=O>OCC1=CC=C(C=C1)NC=C1C(NC(C2=CC=CC=C12)=O)=O | 3 |
C(OC([N:8]1[C:16]2[C:11](=[C:12]([F:17])[CH:13]=[CH:14][CH:15]=2)[CH:10]=[C:9]1[B:18]([OH:20])[OH:19])=O)(C)(C)C>C(O)(C(F)(F)F)=O>[F:17][C:12]1[CH:13]=[CH:14][CH:15]=[C:16]2[C:11]=1[CH:10]=[C:9]([B:18]([OH:20])[OH:19])[NH:8]2 | 1 |
CC(C)(C)C(CCC#CO[SiH](C)C)CCC#C.C(=O)C1CCC(O1)C1OC(CC1)C(CCCCCCCCCC)OCOC>>CC(C)(C)C(CCC#CO[SiH](C)C)CCC#CC(C1CCC(O1)C1OC(CC1)C(CCCCCCCCCC)O)OCOC | 5 |
[Li:1]CCCC.[CH:6]([NH:9][CH:10]([CH3:12])[CH3:11])([CH3:8])[CH3:7].[CH2:13]([O:15][C:16](=[O:20])[CH2:17][O:18][CH3:19])[CH3:14].Br[CH2:22][C:23]1[C:32]2[C:27](=[CH:28][CH:29]=[CH:30][CH:31]=2)[C:26]([O:33][CH2:34][CH2:35][C:36]2[N:37]=[C:38]([C:42]3[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=3)[O:39][C:40]=2[CH3:41])=[CH:25][CH:24]=1.C(=O)=O>CN1C(=O)N(C)CCC1.C1COCC1>[Li+:1].[CH3:7][CH:6]([N-:9][CH:10]([CH3:12])[CH3:11])[CH3:8].[CH2:13]([O:15][C:16](=[O:20])[CH:17]([O:18][CH3:19])[CH2:22][C:23]1[C:32]2[C:27](=[CH:28][CH:29]=[CH:30][CH:31]=2)[C:26]([O:33][CH2:34][CH2:35][C:36]2[N:37]=[C:38]([C:42]3[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=3)[O:39][C:40]=2[CH3:41])=[CH:25][CH:24]=1)[CH3:14] | 1 |
BrC1=C(SC=2C1=C1C=CC=NC1=CC2)C(=O)OCC>>BrC1=C(SC=2C1=C1C=CC=NC1=CC2)CO | 5 |
ClC1=C(C(=O)Cl)C=CC=C1.N1(CCNCC1)C1=C2C(=NC(=NC2=CC=C1)N)N>>ClC1=C(C=CC=C1)C(=O)N1CCN(CC1)C1=C2C(=NC(=NC2=CC=C1)N)N | 3 |
[OH-:1].[CH2:2]([N+:4]([CH2:9][CH3:10])([CH2:7][CH3:8])[CH2:5][CH3:6])[CH3:3].[B:11]([OH:14])([OH:13])[OH:12].[C:15](O)(=O)[C:16]1[C:17](=[CH:19][CH:20]=[CH:21][CH:22]=1)[OH:18]>O>[CH2:15]([O:12][B:11]([O-:14])[O:13][CH2:19][C:17]1[C:16](=[CH:22][CH:21]=[CH:9][CH:10]=1)[OH:1])[C:16]1[C:17](=[CH:19][CH:20]=[CH:21][CH:22]=1)[OH:18].[CH2:2]([N+:4]([CH2:9][CH3:10])([CH2:7][CH3:8])[CH2:5][CH3:6])[CH3:3] | 2 |
BrC1=CN=C(C=C1C(=O)O)Cl>CO[H].ClS(Cl)=O>BrC1=CN=C(C=C1C(=O)OC)Cl | 3 |
[N+](=O)([O-])C.C(C1=CC=CC=C1)OC(=O)NC(C(=O)OCC1=CC=CC=C1)CCP(=O)(OC1=CC=C(C=C1)[N+](=O)[O-])OC>>NC(C(=O)O)CCP(=O)(OC1=CC=C(C=C1)[N+](=O)[O-])OC | 5 |
C1(=CC=C(C=C1)S(=O)(=O)OCCN1N=NC=C1)C.ClC1=C(C=CC(=C1)OC1=CC=NC2=CC(=C(C=C12)OC)O)NC(=O)NCCC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=C(C=CC(=C1)OC1=CC=NC2=CC(=C(C=C12)OC)OCCN1N=NC=C1)NC(=O)NCCC | 3 |
[F:1][C:2]([F:9])([F:8])[CH2:3][CH2:4][CH2:5][CH:6]=[O:7].[O:10]1CCOCC1.[Se](=O)=O.O>C(O)(=O)C>[F:1][C:2]([F:9])([F:8])[CH2:3][CH2:4][C:5](=[O:10])[CH:6]=[O:7] | 1 |
BrC1=CC(=C(N)C=C1)F.ClC=1N(C(C=C(C1C(=O)OC)\C=C\OCC)=O)C>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].[Cl-].[NH4+]>BrC1=CC(=C(C=C1)NC=1N(C(C=C(C1C(=O)OC)\C=C\OCC)=O)C)F | 3 |
CI.COC=1C=C2CNN3C(C2=CC1OC)=CC(C(=C3)C(=O)OC(C)(C)C)=O>CC#N.C([O-])([O-])=O.[K+].[K+]>COC=1C=C2CN(N3C(C2=CC1OC)=CC(C(=C3)C(=O)OC(C)(C)C)=O)C | 3 |
ClC(=O)OC.FC(C(=O)O)(F)F.FC(C(=O)O)(F)F.N1CC(C1)C=1C(=C(C=C(C1C)Cl)C(C)NC1=C2N=CNC2=NC=N1)OC>>FC(C(=O)O)(F)F.ClC=1C(=C(C(=C(C1)C(C)NC1=C2N=CNC2=NC=N1)OC)C1CN(C1)C(=O)OC)C | 5 |
NC[C@@H]1CC[C@H](CC1)C(=O)O.CC(CC(=O)OCOC(=O)ON1C(CCC1=O)=O)C>>CC(CC(=O)OCOC(=O)NC[C@@H]1CC[C@H](CC1)C(=O)O)C | 5 |
O.[CH2:2]([O:9][C:10]1[C:11](=[O:23])[CH:12]=[C:13]([CH:17]([OH:22])[C:18]([F:21])([F:20])[F:19])[N:14]([CH3:16])[CH:15]=1)[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.C(N(CC)CC)C.[CH3:31][S:32](Cl)(=[O:34])=[O:33]>ClCCl>[CH2:2]([O:9][C:10]1[C:11](=[O:23])[CH:12]=[C:13]([CH:17]([O:22][S:32]([CH3:31])(=[O:34])=[O:33])[C:18]([F:21])([F:19])[F:20])[N:14]([CH3:16])[CH:15]=1)[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1 | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)(C)(C)OC(=O)N[C@H](C(=O)O)CC1=C(C=CC=C1)OC>>C(C)(C)(C)OC(N[C@@H](CC1=C(C=CC=C1)OC)C(N)=O)=O | 5 |
FC(CO)(F)F.ClC1=C(C(=NC=C1)NC(C(C)(C)C)=O)C=O>>NC1=C(C=O)C(=CC=N1)OCC(F)(F)F | 5 |
C[Si](C)(C)C#C.C(CCCC)C1=CC=C(C=C1)C1=CC=C(C=C1)Br>[Cu]I.C1(=CC=CC=C1)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].C(C)(C)NC(C)C>C(CCCC)C1=CC=C(C=C1)C1=CC=CC=C1.C#C | 3 |
ClC=1C=C2C=CNC2=CC1>C1(=CC=CC=C1)C.CC(C)(C)[O-].[K+].COCCOCCN(CCOCCOC)CCOCCOC>CN1C=CC2=CC(=CC=C12)Cl | 3 |
[CH3:1][C:2]1[C:3]([C:18]2[CH:23]=[CH:22][C:21]([CH3:24])=[CH:20][CH:19]=2)=[C:4]([C:9]2[C:14]([F:15])=[CH:13][C:12]([F:16])=[CH:11][C:10]=2[F:17])[C:5](=O)[NH:6][N:7]=1.P(Cl)(Cl)([Cl:27])=O>>[Cl:27][C:5]1[N:6]=[N:7][C:2]([CH3:1])=[C:3]([C:18]2[CH:23]=[CH:22][C:21]([CH3:24])=[CH:20][CH:19]=2)[C:4]=1[C:9]1[C:14]([F:15])=[CH:13][C:12]([F:16])=[CH:11][C:10]=1[F:17] | 1 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[C:9]([C:12]([F:15])([F:14])[F:13])[CH:10]=2)[O:5][C:4](=[O:16])[CH:3]=1.[NH2:17][CH:18]1[CH2:23][CH2:22][N:21](C(OC(C)(C)C)=O)[CH2:20][CH2:19]1.ClC1C2C(=CC(Cl)=C(Cl)C=2)OC(=O)C=1.O1C2C=CC(N3CCC(N)CC3)=CC=2OC1>>[NH:21]1[CH2:22][CH2:23][CH:18]([NH:17][C:2]2[C:11]3[C:6](=[CH:7][CH:8]=[C:9]([C:12]([F:15])([F:14])[F:13])[CH:10]=3)[O:5][C:4](=[O:16])[CH:3]=2)[CH2:19][CH2:20]1 | 1 |
Cl.[OH:2][C:3]1[N:7]([CH3:8])[N:6]=[CH:5][CH:4]=1.C(N(CC)CC)C.[O:16]1[CH2:20][CH2:19][C:18]([C:21]2[C:22]([CH3:34])=[C:23]([CH:27]=[CH:28][C:29]=2[S:30]([CH3:33])(=[O:32])=[O:31])[C:24](Cl)=[O:25])=[N:17]1.CC(C)(O)C#N>C(Cl)(Cl)Cl>[O:16]1[CH2:20][CH2:19][C:18]([C:21]2[C:22]([CH3:34])=[C:23]([CH:27]=[CH:28][C:29]=2[S:30]([CH3:33])(=[O:32])=[O:31])[C:24]([C:4]2[CH:5]=[N:6][N:7]([CH3:8])[C:3]=2[OH:2])=[O:25])=[N:17]1 | 1 |
O1C2C=CC=CC=2C=C1.C1(C)C=CC(S(Cl)(=O)=O)=CC=1.CC1C=CC(S(O[CH2:32][CH:33]2[CH2:37][C:36]3[CH:38]=[C:39]([O:46][CH3:47])[CH:40]=[C:41]([C:42]([CH3:45])([CH3:44])[CH3:43])[C:35]=3[O:34]2)(=O)=O)=CC=1.S(C1C=CC(C)=CC=1)([O-])(=O)=O.[N-:59]=[N+:60]=[N-:61].[Na+]>>[N:59]([CH2:32][CH:33]1[CH2:37][C:36]2[CH:38]=[C:39]([O:46][CH3:47])[CH:40]=[C:41]([C:42]([CH3:45])([CH3:44])[CH3:43])[C:35]=2[O:34]1)=[N+:60]=[N-:61] | 1 |
IC=1C=C(C=CC1)CCO>O.Br>IC=1C=C(CCBr)C=CC1 | 3 |
NC1CCN(CC1)C(=O)OC(C)(C)C.C(C)(=O)C=1C=C(C=O)C=CC1C>[Na+].[BH4-].CCO[H].C(C)(=O)O.CC([O-])C.[Ti+4].CC([O-])C.CC([O-])C.CC([O-])C>C(C)(C)(C)OC(=O)N1CCC(CC1)NCC1=CC(=C(C=C1)C)C(C)=O | 3 |
OC[C@H](C(C)(C)C)NC(=O)C=1C2=C(N(N1)C1=NC=CN=C1)C1CCC(C2)O1>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>OC[C@H](C(C)(C)C)NC(=O)C=1C2=C(N(N1)C=1C=[N+](C=CN1)[O-])[C@H]1CC[C@@H](C2)O1 | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:20]2[CH:25]=[CH:24][C:23]([N:26]3[CH2:30][CH2:29][CH2:28][C:27]3=[O:31])=[CH:22][CH:21]=2)[CH2:9][C:10]([C:12]2[CH:13]=[CH:14][C:15](=[O:19])[N:16]([CH3:18])[CH:17]=2)=O)=[C:4]([CH3:32])[CH:3]=1.Cl.[NH2:34][OH:35].C(=O)([O-])O.[Na+]>>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:20]2[CH:21]=[CH:22][C:23]([N:26]3[CH2:30][CH2:29][CH2:28][C:27]3=[O:31])=[CH:24][CH:25]=2)[CH2:9]/[C:10](/[C:12]2[CH:13]=[CH:14][C:15](=[O:19])[N:16]([CH3:18])[CH:17]=2)=[N:34]\[OH:35])=[C:4]([CH3:32])[CH:3]=1 | 1 |
[CH3:1][O:2][C:3](=[O:24])[C:4]1[CH:9]=[CH:8][C:7]([OH:10])=[CH:6][C:5]=1[NH:11][C:12](=[O:23])[C:13]1[CH:18]=[CH:17][C:16]([C:19]([CH3:22])([CH3:21])[CH3:20])=[CH:15][CH:14]=1.O[CH2:26][CH2:27][CH2:28][O:29][N:30]=[CH:31][C:32]1[C:40]2[C:35](=[CH:36][CH:37]=[CH:38][CH:39]=2)[N:34]([CH2:41][C:42]2[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=2)[CH:33]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OC(C)C)=O)=NC(OC(C)C)=O>O1CCCC1.[Cl-].[Na+].O>[CH3:1][O:2][C:3](=[O:24])[C:4]1[CH:9]=[CH:8][C:7]([O:10][CH2:26][CH2:27][CH2:28][O:29]/[N:30]=[CH:31]/[C:32]2[C:40]3[C:35](=[CH:36][CH:37]=[CH:38][CH:39]=3)[N:34]([CH2:41][C:42]3[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=3)[CH:33]=2)=[CH:6][C:5]=1[NH:11][C:12](=[O:23])[C:13]1[CH:14]=[CH:15][C:16]([C:19]([CH3:20])([CH3:21])[CH3:22])=[CH:17][CH:18]=1 | 1 |
ClC1=C(C(=CC=C1)Cl)C(C)N1N=CC(=C1)[N+](=O)[O-]>O.[Fe].CCO[H].[Cl-].[NH4+]>ClC1=C(C(=CC=C1)Cl)C(C)N1N=CC(=C1)N | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:12]=[C:11]([NH2:13])[NH:10][N:9]=2)=[CH:4][CH:3]=1.CO[CH:16](OC)[CH2:17][CH:18](OC)OC.O.[NH4+].[OH-]>C(O)(=O)C>[F:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[CH:12]=[C:11]3[N:13]=[CH:16][CH:17]=[CH:18][N:10]3[N:9]=2)=[CH:6][CH:7]=1 | 1 |
C[O:2][C:3](=[O:35])[CH2:4][O:5][C:6]1[CH:11]=[CH:10][C:9]([CH2:12][CH2:13][CH2:14][N:15]2[CH2:20][CH2:19][N:18]([C:21]3[CH:30]=[CH:29][CH:28]=[C:27]4[C:22]=3[CH:23]=[CH:24][C:25]([CH3:31])=[N:26]4)[CH2:17][CH2:16]2)=[CH:8][C:7]=1[N+:32]([O-])=O>C(O)(=O)C.C(OCC)(=O)C.[Fe]>[C:3]([OH:35])(=[O:2])[CH3:4].[CH3:31][C:25]1[CH:24]=[CH:23][C:22]2[C:27](=[CH:28][CH:29]=[CH:30][C:21]=2[N:18]2[CH2:17][CH2:16][N:15]([CH2:14][CH2:13][CH2:12][C:9]3[CH:10]=[CH:11][C:6]4[O:5][CH2:4][C:3](=[O:35])[NH:32][C:7]=4[CH:8]=3)[CH2:20][CH2:19]2)[N:26]=1 | 2 |
C(C)(C)(C)OC(=O)N1CCC(CC1)C1=CC=2C(=CN=C(C2)C2=CC=C(C=C2)S(=O)(=O)C)O1>CO[H].[HH].[Pd].C(C)(=O)O>C(C)(C)(C)OC(=O)N1CCC(CC1)C1CC=2C(=CN=C(C2)C2=CC=C(C=C2)S(=O)(=O)C)O1 | 3 |
[Cl:1][C:2]1[N:3]=[C:4](Cl)[C:5]2[CH2:10][N:9]([CH:11]([CH3:15])[CH2:12][O:13][CH3:14])[C:8](=[O:16])[C:6]=2[N:7]=1.[F:18][C:19]1[CH:24]=[CH:23][C:22]([CH2:25][C:26]([CH3:29])([NH2:28])[CH3:27])=[CH:21][CH:20]=1.CCN(C(C)C)C(C)C>ClCCCl>[Cl:1][C:2]1[N:3]=[C:4]([NH:28][C:26]([CH3:29])([CH3:27])[CH2:25][C:22]2[CH:23]=[CH:24][C:19]([F:18])=[CH:20][CH:21]=2)[C:5]2[CH2:10][N:9]([CH:11]([CH3:15])[CH2:12][O:13][CH3:14])[C:8](=[O:16])[C:6]=2[N:7]=1 | 2 |
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