smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C=1N=CN2C1C1=CC=CC=C1C2C2CCC1=C(N=CS1)C2=O>C1CCCO1.CO[H].C(C)(CC)[BH-](C(C)CC)C(C)CC.[Li+]>C=1N=CN2C1C1=CC=CC=C1C2C2CCC1=C(N=CS1)[C@@H]2O | 3 |
C(C1=CC=CC=C1)Br.BrC=1C=2C=CC=NC2C(NC1)=O>>C(C1=CC=CC=C1)N1C=C(C=2C=CC=NC2C1=O)Br | 5 |
[BH4-].[Na+].[C:3]([C:11]1[CH:12]=[C:13]2[O:19][C:18](=[O:20])[N:17]([CH3:21])[C:14]2=[N:15][CH:16]=1)(=[O:10])[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1>CO>[C:4]1([CH:3]([C:11]2[CH:12]=[C:13]3[O:19][C:18](=[O:20])[N:17]([CH3:21])[C:14]3=[N:15][CH:16]=2)[OH:10])[CH:5]=[CH:6][CH:7]=[CH:8][CH:9]=1 | 1 |
C(C1=CC=CC=C1)(=O)Cl.NC1=CC=C(C=C1)C1=NN=C(O1)N(C(OC(C)(C)C)=O)CCCN1CCCCC1>ClCCl.CCN(CC)CC>C1(=CC=CC=C1)C(=O)NC1=CC=C(C=C1)C1=NN=C(O1)N(C(OC(C)(C)C)=O)CCCN1CCCCC1 | 3 |
[NH2:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]1[N:12]=[C:13]([C:18]3[CH:23]=[CH:22][C:21]([O:24][C:25]4[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=4)=[CH:20][CH:19]=3)[C:14]([C:15]([NH2:17])=[O:16])=[C:7]1[NH:6][C:5]2=[O:31].[C:32](Cl)(=[O:35])[CH:33]=[CH2:34]>>[C:32]([NH:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]1[N:12]=[C:13]([C:18]3[CH:19]=[CH:20][C:21]([O:24][C:25]4[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=4)=[CH:22][CH:23]=3)[C:14]([C:15]([NH2:17])=[O:16])=[C:7]1[NH:6][C:5]2=[O:31])(=[O:35])[CH:33]=[CH2:34] | 1 |
Cl.Cl.C1(=CC=CC=C1)[C@H]1[C@@H](C1)NC1CCN(CC1)C1(CCC1)CC(=O)O>N(C)(C)C=O.C1CCCO1.C(C)(C)N(C(C)C)CC.CNC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>CN(C(CC1(CCC1)N1CCC(CC1)N[C@H]1[C@@H](C1)C1=CC=CC=C1)=O)C | 3 |
F[C@@H]1CN(CC1)C=1C=C2C(=CC=NC2=CC1)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>F[C@@H]1CN(CC1)C=1C=C2C(=CC=NC2=CC1)C(=O)O | 3 |
NC1=C2C(=NC=N1)N(N=C2C2=C(C=C(C=C2)OC2=CC=CC=C2)F)C[C@@H]2N(CCC2)C(C(=CC(C)(C)N(C(OC(C)(C)C)=O)CC)C#N)=O>>NC1=C2C(=NC=N1)N(N=C2C2=C(C=C(C=C2)OC2=CC=CC=C2)F)C[C@@H]2N(CCC2)C(=O)C(C#N)=CC(C)(C)NCC | 5 |
O=[C:2]1[C:7]([C:8]([O:10][CH2:11][CH3:12])=[O:9])=[CH:6][N:5]=[CH:4][NH:3]1.P(Cl)(Cl)([Cl:15])=O>C(N(CC)CC)C>[Cl:15][C:2]1[C:7]([C:8]([O:10][CH2:11][CH3:12])=[O:9])=[CH:6][N:5]=[CH:4][N:3]=1 | 1 |
C[C:2]1[C:3](=[O:17])[CH2:4][CH2:5][N:6]2[C:11]=1[CH2:10][CH2:9][C:8]1[CH:12]=[C:13](C)[CH:14]=[CH:15][C:7]2=1.COC=CC(O[Si](C)(C)C)=C>C(Cl)Cl.Cl[Ti](Cl)(Cl)Cl>[CH:5]1[N:6]2[CH:11]([CH2:2][C:3](=[O:17])[CH:4]=1)[CH2:10][CH2:9][C:8]1[CH:12]=[CH:13][CH:14]=[CH:15][C:7]2=1 | 1 |
[Cl:1][C:2]1[C:3]([O:12]C)=[C:4]([CH:7]=[CH:8][C:9]=1[O:10][CH3:11])[CH:5]=[O:6].B(Br)(Br)Br>C(Cl)Cl>[Cl:1][C:2]1[C:3]([OH:12])=[C:4]([CH:7]=[CH:8][C:9]=1[O:10][CH3:11])[CH:5]=[O:6] | 1 |
CC1=NC=C(N1C(C)C)C1=NC(=NC=C1)NC1CCNCC1>ClCCl.CC(=O)C.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>CC1=NC=C(N1C(C)C)C1=NC(=NC=C1)NC1CCN(CC1)C(C)C | 3 |
C(C)(C)C1=C(C(=CC=C1)C(C)C)\N=C(\C)/C1=CC(=CC=C1)C1=NC=CC=C1>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C(C)(C)C1=C(C(=CC=C1)C(C)C)NC(C)C1=CC(=CC=C1)C1=NC=CC=C1 | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:12]3[CH:13]=[CH:14][C:15]([O:17][CH2:18][CH2:19][CH2:20]Br)=[CH:16][C:11]=3[S:10][N:9]=2)=[CH:4][CH:3]=1.[CH3:22][O:23][CH2:24][CH2:25][NH:26][CH2:27][CH3:28]>>[BrH:1].[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:12]3[CH:13]=[CH:14][C:15]([O:17][CH2:18][CH2:19][CH2:20][N:26]([CH2:27][CH3:28])[CH2:25][CH2:24][O:23][CH3:22])=[CH:16][C:11]=3[S:10][N:9]=2)=[CH:4][CH:3]=1 | 1 |
C([O:3][C:4](=[O:18])[CH2:5][CH:6]1[CH2:15][CH2:14][C:13]2[C:8](=[CH:9][C:10]([O:16][CH3:17])=[CH:11][CH:12]=2)[CH2:7]1)C.C(OC(=O)CC1CCC2C(=CC(OC)=C(S(Cl)(=O)=O)C=2)C1)C.COC(C1CC2C(=CC=C(C)C=2)C1)=O.COC(=O)CC1CCC2C(=CC(OC)=C(S)C=2)C1.COC(C1CC2C(=CC=C(S)C=2)C1)=O.[CH3:87][C:88]1[N:89]=[C:90]([C:107]2[CH:112]=[CH:111][C:110]([C:113]([F:116])([F:115])[F:114])=[CH:109][CH:108]=2)[S:91][C:92]=1[CH2:93][S:94]C1C=C2C(=CC=1)CC(C(O)=O)C2>[Pd]>[CH3:17][O:16][C:10]1[CH:9]=[C:8]2[C:13]([CH2:14][CH2:15][CH:6]([CH2:5][C:4]([OH:3])=[O:18])[CH2:7]2)=[CH:12][C:11]=1[S:94][CH2:93][C:92]1[S:91][C:90]([C:107]2[CH:108]=[CH:109][C:110]([C:113]([F:116])([F:115])[F:114])=[CH:111][CH:112]=2)=[N:89][C:88]=1[CH3:87] | 2 |
[H-].[Na+].[C:3]([O:7][C:8]([NH:10][C@H:11]([C:15]1[NH:16][C:17]([C:20]2[CH:25]=[CH:24][C:23]([NH:26][C:27](=[O:30])[O:28][CH3:29])=[CH:22][C:21]=2[N+:31]([O-:33])=[O:32])=[CH:18][N:19]=1)[CH2:12][CH:13]=[CH2:14])=[O:9])([CH3:6])([CH3:5])[CH3:4].[CH3:34][Si:35]([CH2:38][CH2:39][O:40][CH2:41]Cl)([CH3:37])[CH3:36]>C1COCC1>[C:3]([O:7][C:8]([NH:10][C@H:11]([C:15]1[N:19]([CH2:41][O:40][CH2:39][CH2:38][Si:35]([CH3:37])([CH3:36])[CH3:34])[CH:18]=[C:17]([C:20]2[CH:25]=[CH:24][C:23]([NH:26][C:27](=[O:30])[O:28][CH3:29])=[CH:22][C:21]=2[N+:31]([O-:33])=[O:32])[N:16]=1)[CH2:12][CH:13]=[CH2:14])=[O:9])([CH3:4])([CH3:5])[CH3:6] | 1 |
OCC1=C(C=CC=C1OC[C@H]1N(CCCC1)C(=O)C=1C(=NC=CC1)CCN1CCCC1)O>ClCCl.[O-2].[O-2].[Mn+4]>OC1=C(C=O)C(=CC=C1)OC[C@H]1N(CCCC1)C(=O)C=1C(=NC=CC1)CCN1CCCC1 | 3 |
BrC[C:3]1[CH:15]=[CH:14][C:6]([C:7]([O:9]C(C)(C)C)=[O:8])=[C:5](Cl)[CH:4]=1.FC(F)(F)CN.ClC1C=C(CNCC(F)(F)F)C=CC=1C(OC(C)(C)C)=O.Cl>CS(C)=O.O1CCOCC1>[C:7]([OH:9])(=[O:8])[C:6]1[CH:14]=[CH:15][CH:3]=[CH:4][CH:5]=1 | 2 |
C(C1=CC=CC=C1)N.CSC=1C2=C(N=CN1)C=NC=C2>>C(C1=CC=CC=C1)NC=1C2=C(N=CN1)C=NC=C2 | 3 |
[Cl:1][C:2]1[N:7]=[C:6]([NH:8][CH2:9][C:10]([CH3:13])([CH3:12])[CH3:11])[C:5]([CH2:14]Cl)=[CH:4][N:3]=1.[N-:16]=[N+:17]=[N-:18].[Na+]>CN(C=O)C.C(OCC)(=O)C>[N:16]([CH2:14][C:5]1[C:6]([NH:8][CH2:9][C:10]([CH3:13])([CH3:12])[CH3:11])=[N:7][C:2]([Cl:1])=[N:3][CH:4]=1)=[N+:17]=[N-:18] | 1 |
ClC1=C(C=CC=C1)O.OC=1C=C(CO)C=CC1>>ClC1=C(OCC=2C=C(C=CC2)O)C=CC=C1 | 5 |
[CH3:1][C:2]([CH3:12])([C:7](=[O:11])[CH:8]([CH3:10])[CH3:9])[C:3]([O:5][CH3:6])=[O:4].[ClH:13].[CH2:14]([NH:21][CH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.[CH2:29]=O.Cl>C(O)C>[ClH:13].[CH2:22]([N:21]([CH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[CH2:10][C:8]([CH3:29])([CH3:9])[C:7](=[O:11])[C:2]([CH3:1])([CH3:12])[C:3]([O:5][CH3:6])=[O:4])[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1 | 1 |
[C:1]([C:5]1[CH:6]=[C:7]([CH:10]=[CH:11][C:12]=1[OH:13])[CH:8]=[O:9])([CH3:4])([CH3:3])[CH3:2].[Br:14]Br>C(O)(=O)C>[Br:14][C:11]1[CH:10]=[C:7]([CH:6]=[C:5]([C:1]([CH3:4])([CH3:2])[CH3:3])[C:12]=1[OH:13])[CH:8]=[O:9] | 1 |
[NH2:1][CH2:2][C@H:3]1[CH2:8][CH2:7][C@H:6]([CH2:9][NH:10][C:11](=[O:17])[O:12][C:13]([CH3:16])([CH3:15])[CH3:14])[CH2:5][CH2:4]1.[CH:18]1[C:27]2[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=2)[CH:21]=[CH:20][C:19]=1[S:28](Cl)(=[O:30])=[O:29]>>[CH:18]1[C:27]2[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=2)[CH:21]=[CH:20][C:19]=1[S:28]([NH:1][CH2:2][C@H:3]1[CH2:4][CH2:5][C@H:6]([CH2:9][NH:10][C:11](=[O:17])[O:12][C:13]([CH3:14])([CH3:16])[CH3:15])[CH2:7][CH2:8]1)(=[O:29])=[O:30] | 2 |
BrC=1C=CC(=C(C1)C)OC(F)(F)F>[Cu]I.O1CCOCC1.[I-].[Na+].CN[C@H]1[C@@H](CCCC1)NC>IC1=CC(=C(C=C1)OC(F)(F)F)C | 3 |
C(C)(C)C1=CC=C(C=C1)S.BrC=1C(=NC=CC1)N>C1(=CC=CC=C1)C.C(C)(C)N(C(C)C)CC.[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.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1>CC(C)C1=CC=C(C=C1)SC=1C(=NC=CC1)N | 3 |
FC1CN(CCC1(C[N+](=O)[O-])CC(=O)OC)C(=O)OC(C)(C)C>CCO[H]>FC1C2(CC(NC2)=O)CCN(C1)C(=O)OC(C)(C)C | 3 |
CI.BrC=1N=C(SC1)CO[Si](C)(C)C(C)(C)C>>BrC=1N=C(SC1C)CO[Si](C)(C)C(C)(C)C | 5 |
N(=[N+]=[N-])CCO[C@@](CCC)(C1=CC(=CC=C1)Cl)[C@H]1CN(CCC1)C(=O)OC(C)(C)C>O.C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3>NCCO[C@@](CCC)(C1=CC(=CC=C1)Cl)[C@H]1CN(CCC1)C(=O)OC(C)(C)C | 3 |
C1(=CC=CC=C1)C(C(=O)O)(C(F)(F)F)O.ClC1=C(C(=O)N(C)C)C=CC(=C1)OC(CCCC1CCNCC1)(F)F>C1CCCO1.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC1=C(C(=O)N(C)C)C=CC(=C1)OC(CCCC1CCN(CC1)C(C(C(F)(F)F)(C1=CC=CC=C1)O)=O)(F)F | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([OH:29])[CH:9]([CH2:15][C:16]2[CH:21]=[CH:20][C:19]([O:22][C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)=[CH:18][CH:17]=2)[C:10]([O:12]CC)=[O:11])=[CH:4][CH:3]=1.[OH-].[Na+].Cl>CO>[F:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]([OH:29])[CH:9]([CH2:15][C:16]2[CH:21]=[CH:20][C:19]([O:22][C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)=[CH:18][CH:17]=2)[C:10]([OH:12])=[O:11])=[CH:6][CH:7]=1 | 1 |
[CH2:1]([C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[N:9]=[N:8][C:7]([C:13]([OH:15])=[O:14])=[CH:6]2)[CH3:2].S(Cl)(Cl)=O.[C:20]1(O)[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1>O1CCCC1>[CH2:1]([C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[N:9]=[N:8][C:7]([C:13]([O:15][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)=[O:14])=[CH:6]2)[CH3:2] | 1 |
C(C1=CC=CC=C1)Br.COC([C@@H](CC1=C(C=CC=C1)F)N)=O>CC#N.C([O-])([O-])=O.[K+].[K+]>COC([C@@H](CC1=C(C=CC=C1)F)N(CC1=CC=CC=C1)CC1=CC=CC=C1)=O | 3 |
N1C(=O)NC(=O)C1.BrCC1=CC=C(C=O)C=C1>>O=C1N(C(CN1)=O)CC1=CC=C(C=O)C=C1 | 5 |
CC1=C(NCC2=C(C3=CC=CC=C3C=C2)B2OC(C(O2)(C)C)(C)C)C(=CC(=C1)C)C.BrC1=CC=CC(=N1)C(C)(C)NC1=C(C=CC=C1C(C)C)C(C)C>C1(=CC=CC=C1)C.O.CO[H].C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(C)(C)C1=C(C(=CC=C1)C(C)C)NC(C)(C)C1=CC=CC(=N1)C1=C(C=CC2=CC=CC=C12)CNC1=C(C=C(C=C1C)C)C | 3 |
C1COS(=O)(=O)C1.FC1=CC=C(C=C1)C=1CCNCC1>>FC1=CC=C(C=C1)C=1CCN(CC1)CCCS(=O)(=O)O | 5 |
NC1=C2C(=NC=N1)N(N=C2C2=C(C=C(C=C2)OC2=C(C(=CC(=C2F)F)F)F)F)CC(C)(C)NC(OC(C)(C)C)=O>ClCCl.Cl.Cl>NC(CN1N=C(C=2C1=NC=NC2N)C2=C(C=C(C=C2)OC2=C(C(=CC(=C2F)F)F)F)F)(C)C | 3 |
[O:1]1[CH2:6][CH:5]=[C:4](B2OC(C)(C)C(C)(C)O2)[CH2:3][CH2:2]1.FC(F)(F)S(O[C:22]1[CH:35]=[C:34]2[C:25]([O:26][C:27]3[CH:28]=[CH:29][C:30]([C:41]4[C:42]([F:47])=[N:43][CH:44]=[CH:45][CH:46]=4)=[CH:31][C:32]=3[C@:33]32[CH2:39][O:38][C:37]([NH2:40])=[N:36]3)=[C:24]([F:48])[CH:23]=1)(=O)=O.C(=O)([O-])[O-].[Na+].[Na+]>C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.CN(C=O)C>[O:1]1[CH2:2][CH:3]=[C:4]([C:22]2[CH:23]=[C:24]([F:48])[C:25]3[O:26][C:27]4[C:32](=[CH:31][C:30]([C:41]5[C:42]([F:47])=[N:43][CH:44]=[CH:45][CH:46]=5)=[CH:29][CH:28]=4)[C@@:33]4([CH2:39][O:38][C:37]([NH2:40])=[N:36]4)[C:34]=3[CH:35]=2)[CH2:5][CH2:6]1 | 1 |
CC(=O)OC=1C=CC=CC1C(=O)O.C(CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(C(=O)OCCN)CC>O.ClCCl.CCN(CC)CC.ClC(=O)OCC>C(CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(C(=O)OCCNC(C1=C(C=CC=C1)OC(C)=O)=O)CC | 3 |
[S:1]1[CH:5]=[CH:4][C:3]2[C:6](=[O:10])[CH2:7][CH2:8][CH2:9][C:2]1=2.[N+:11]([O-])([OH:13])=[O:12]>S(=O)(=O)(O)O>[N+:11]([C:5]1[S:1][C:2]2[CH2:9][CH2:8][CH2:7][C:6](=[O:10])[C:3]=2[CH:4]=1)([O-:13])=[O:12] | 1 |
C(C1=CC=CC=C1)(=O)NC1=CC=C2C=C(C(OC2=C1)=O)C(=O)OCC>>C(C1=CC=CC=C1)(=O)NC1=CC=C2C=C(C(OC2=C1)=O)C(=O)O | 5 |
ClCC(=O)Cl.N[C@@H](C)C(=O)NC1C(N(C2=C(C(=N1)C1=CC=CC=C1)C=CC=C2)C)=O>ClCCl>ClCC(=O)N[C@@H](C)C(=O)NC1C(N(C2=C(C(=N1)C1=CC=CC=C1)C=CC=C2)C)=O | 3 |
C(C)OC(=O)C1=NC(=CC=C1)CO>>OCC1=CC=CC(=N1)C(=O)O | 5 |
ClC1=C(OC2=C(C(=CC=C2)OC2=CC=CC=C2)B2OC(C(O2)(C)C)(C)C)C=CC=C1>C1(=CC=CC=C1)C.O.[Al](Cl)(Cl)Cl.C(C)(C)N(C(C)C)CC>ClC=1C=2OC=3C=CC=C4OC=5C=CC=CC5B(C34)C2C=CC1 | 3 |
[NH2:1][C@H:2]1[CH2:7][CH2:6][C@H:5]([C:8]([O:10][CH2:11][CH3:12])=[O:9])[CH2:4][CH2:3]1.Cl.C([O-])([O-])=O.[K+].[K+].Br[CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1>C(#N)C>[CH2:21]([N:1]([CH2:8][C:5]1[CH:6]=[CH:7][CH:2]=[CH:3][CH:4]=1)[C@H:2]1[CH2:3][CH2:4][C@H:5]([C:8]([O:10][CH2:11][CH3:12])=[O:9])[CH2:6][CH2:7]1)[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1 | 1 |
[CH2:1]1[C:11]2=[C:12]3[C:7](=[CH:8][CH:9]=[CH:10]2)[CH:6]=[CH:5][CH:4]=[C:3]3[CH2:2]1.C(O)(=[O:15])C>O.O.O.O.O.O.[Co](Br)Br.O.O.O.O.C([O-])(=O)C.[Co+2].C([O-])(=O)C.O.O.O.O.C([O-])(=O)C.[Mn+2].C([O-])(=O)C>[C:2]1(=[O:15])[C:3]2=[C:12]3[C:7](=[CH:6][CH:5]=[CH:4]2)[CH:8]=[CH:9][CH:10]=[C:11]3[CH2:1]1 | 1 |
N[C@@H]([C@@H](C)CC)C(=O)O>C(C)OCC.Cl.N(=O)[O-].[Na+]>Cl[C@H](C(=O)O)[C@H](CC)C | 3 |
[C:1]1(/[CH:7]=[CH:8]/[C:9]2[N:10]=[C:11]3[CH:20]=[CH:19][C:18]4([CH2:24][CH:17]4[N:12]3[C:13](=[O:16])[C:14]=2[CH3:15])[C:21]([OH:23])=[O:22])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.CI.[C:27]([O-])([O-])=O.[K+].[K+]>CN(C)C=O>[C:1]1(/[CH:7]=[CH:8]/[C:9]2[N:10]=[C:11]3[CH:20]=[CH:19][C:18]4([CH2:24][CH:17]4[N:12]3[C:13](=[O:16])[C:14]=2[CH3:15])[C:21]([O:23][CH3:27])=[O:22])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
[F:1][C:2]([F:28])([F:27])[C:3]1[CH:4]=[C:5]([N:9]=[C:10]=[N:11][C:12]2[C:13](/[CH:18]=[CH:19]/[C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])=[N:14][CH:15]=[CH:16][CH:17]=2)[CH:6]=[CH:7][CH:8]=1.[F:29][C:30]1[CH:35]=[CH:34][C:33]([N:36]2[CH2:41][CH2:40][NH:39][CH2:38][CH2:37]2)=[CH:32][CH:31]=1>>[F:29][C:30]1[CH:31]=[CH:32][C:33]([N:36]2[CH2:41][CH2:40][N:39]([C:10]3[N:9]([C:5]4[CH:6]=[CH:7][CH:8]=[C:3]([C:2]([F:27])([F:1])[F:28])[CH:4]=4)[CH:18]([CH2:19][C:20]([O:22][C:23]([CH3:25])([CH3:24])[CH3:26])=[O:21])[C:13]4[N:14]=[CH:15][CH:16]=[CH:17][C:12]=4[N:11]=3)[CH2:38][CH2:37]2)=[CH:34][CH:35]=1 | 1 |
C(C#CCC)(=O)OCC.C1(CCCCC1)C1=CC=C(OCC2CN=C(O2)N)C=C1>>C1(CCCCC1)C1=CC=C(OCC2CN3C(=NC(C=C3CC)=O)O2)C=C1 | 5 |
[C:1]1([CH:7]([C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)[O:8][CH:9]2[CH2:14][CH2:13][N:12]([CH2:15][CH2:16][CH2:17][O:18][C:19]3[CH:20]=[CH:21][C:22]4[N:23]([C:25](=[O:28])[NH:26][N:27]=4)[N:24]=3)[CH2:11][CH2:10]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[H-].[Na+].Br[C:38]([CH3:45])([CH3:44])[C:39]([O:41][CH2:42][CH3:43])=[O:40]>CN(C)C=O>[C:29]1([CH:7]([C:1]2[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=2)[O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][O:18][C:19]3[CH:20]=[CH:21][C:22]4[N:23]([C:25](=[O:28])[N:26]([C:38]([CH3:45])([CH3:44])[C:39]([O:41][CH2:42][CH3:43])=[O:40])[N:27]=4)[N:24]=3)[CH2:13][CH2:14]2)[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1 | 1 |
C(C1=CC=CC=C1)OC=1C(C(=NN(C1)C1=C(C=C(C=C1)N1CC(C1)(F)F)F)C1=CC=NN1C1=CC=CC=C1)=O>>FC1(CN(C1)C1=CC(=C(C=C1)N1N=C(C(C(=C1)O)=O)C1=CC=NN1C1=CC=CC=C1)F)F | 5 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:14][CH3:15])=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[CH:4][CH:3]=1.[CH3:16][C:17]([C:19]1[CH:24]=[CH:23][C:22]([O:25][CH3:26])=[CH:21][C:20]=1[OH:27])=[O:18]>CN(C)C1C=CN=CC=1.ClC1C=CC=CC=1Cl>[CH3:13][O:12][C:9]1[CH:10]=[C:11]2[C:6](=[CH:7][C:8]=1[O:14][CH3:15])[N:5]=[CH:4][CH:3]=[C:2]2[O:27][C:20]1[CH:21]=[C:22]([O:25][CH3:26])[CH:23]=[CH:24][C:19]=1[C:17](=[O:18])[CH3:16] | 1 |
ClC1=NC=NC2=CC(=C(C=C12)OC)OC.NC=1C=C(C(=CC1)F)O>>COC=1C=C2C(=NC=NC2=CC1OC)OC=1C=C(N)C=CC1F | 5 |
C(C)OC=1C(=NC=C(C1)B1OC(C(O1)(C)C)(C)C)OCC1=CC=C(C=C1)OC.C(C1=CC=CC=C1)OCCOC1=C(C=C(C=C1)NC(CC1=C(C(=C(C=C1)Br)F)F)=O)C(F)(F)F>O.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].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)OCCOC1=C(C=C(C=C1)NC(CC1=C(C(=C(C=C1)C=1C=NC(=C(C1)OCC)OCC1=CC=C(C=C1)OC)F)F)=O)C(F)(F)F | 3 |
[I-].[K+].[CH2:3]([O:8][C:9]1[CH:14]=[CH:13][C:12]([N+:15]([O-:17])=[O:16])=[CH:11][CH:10]=1)[C:4]([CH3:7])([CH3:6])[CH3:5].[Br:18]Br>O>[Br:18][C:14]1[CH:13]=[C:12]([N+:15]([O-:17])=[O:16])[CH:11]=[CH:10][C:9]=1[O:8][CH2:3][C:4]([CH3:7])([CH3:6])[CH3:5] | 1 |
[CH3:1][C:2]1[CH:6]=[C:5]([C:7]([F:10])([F:9])[F:8])[N:4]([C:11]2[CH:18]=[CH:17][C:14]([CH:15]=O)=[CH:13][CH:12]=2)[N:3]=1.[F:19][C:20]1[CH:25]=[CH:24][C:23]([F:26])=[CH:22][C:21]=1[CH2:27][C:28]#[N:29].[OH-].[K+]>C(O)C>[F:19][C:20]1[CH:25]=[CH:24][C:23]([F:26])=[CH:22][C:21]=1[C:27](=[CH:15][C:14]1[CH:17]=[CH:18][C:11]([N:4]2[C:5]([C:7]([F:10])([F:9])[F:8])=[CH:6][C:2]([CH3:1])=[N:3]2)=[CH:12][CH:13]=1)[C:28]#[N:29] | 1 |
BrC1=C(C=C(C=C1)F)C1=NN(C=C1[C@H](NS(=O)(=O)C=1C=NC(=CC1)C(F)(F)F)C1CC1)COCC[Si](C)(C)C>>C1(CC1)[C@H]1N(C=2C=CC(=CC2C=2C1=CN(N2)COCC[Si](C)(C)C)F)S(=O)(=O)C=2C=NC(=CC2)C(F)(F)F | 5 |
ClC=1C(=C(C=CC1)S(=O)(=O)Cl)C.N1=CC=NC2=CC(=CC=C12)N>>ClC=1C(=C(C=CC1)S(=O)(=O)NC=1C=C2N=CC=NC2=CC1)C | 5 |
OCC1(CC1)C=1C=2N(C=CC1)C=C(N2)CN2N=CC(=C2)C(=O)OCC2=CC=CC=C2>CO[H].[HH].[Pd]>OCC1(CC1)C=1C=2N(C=CC1)C=C(N2)CN2N=CC(=C2)C(=O)O | 3 |
[NH2:1][CH:2]1[N:8]=[C:7]([N:9]2[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]2)[C:6]2[CH:15]=[CH:16][CH:17]=[CH:18][C:5]=2[N:4]([CH3:19])[C:3]1=[O:20].C([NH:28][C@H:29]([C:31](O)=[O:32])[CH3:30])(OC(C)(C)C)=O>>[NH2:28][C@H:29]([C:31]([C:2]1([NH2:1])[N:8]=[C:7]([N:9]2[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]2)[C:6]2[CH:15]=[CH:16][CH:17]=[CH:18][C:5]=2[N:4]([CH3:19])[C:3]1=[O:20])=[O:32])[CH3:30] | 1 |
N[C@H](CC1=CC=CC=C1)C(=O)OC.Cl>>COC([C@@H](CC1=CC=CC=C1)NS(=O)(=O)C)=O | 5 |
Cl.C[N:3](C)CCCN=C=NCC.[C:13]([O:17][C:18]([NH:20][C@@H:21]([CH2:25][C:26]1[CH:31]=[CH:30][C:29]([OH:32])=[CH:28][CH:27]=1)[C:22](O)=[O:23])=[O:19])([CH3:16])([CH3:15])[CH3:14].ON1C2C=CC=CC=2N=N1.N.S([O-])(O)(=O)=O.[Na+]>CN(C)C=O.ClCCl.O.C(OCC)(=O)C>[C:13]([O:17][C:18](=[O:19])[NH:20][CH:21]([C:22](=[O:23])[NH2:3])[CH2:25][C:26]1[CH:31]=[CH:30][C:29]([OH:32])=[CH:28][CH:27]=1)([CH3:16])([CH3:15])[CH3:14] | 2 |
[CH2:1]([Li])[CH2:2][CH2:3][CH3:4].[CH3:6][CH2:7]CCCC.C1([CH2:18][CH2:19][N:20]2[C:24](Br)=[C:23]([C:26]([O:28][CH2:29][CH3:30])=[O:27])[C:22]([N:31]([CH2:69][CH2:70][CH3:71])[CH2:32][C:33]3[CH:38]=[CH:37][C:36]([C:39]4[CH:44]=[CH:43][CH:42]=[CH:41][C:40]=4[C:45]4[N:49]([C:50]([C:63]5[CH:68]=[CH:67][CH:66]=[CH:65][CH:64]=5)([C:57]5[CH:62]=[CH:61][CH:60]=[CH:59][CH:58]=5)[C:51]5[CH:56]=[CH:55][CH:54]=[CH:53][CH:52]=5)[N:48]=[N:47][N:46]=4)=[CH:35][CH:34]=3)=[N:21]2)C=CC=CC=1.C(=O)=O.CC(C)=O.I[C:80]1[CH:81]=[C:82]([CH3:86])[CH:83]=[CH:84][CH:85]=1.[Cl-].[NH4+]>[Cl-].[Zn+2].[Cl-].C1COCC1.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1COCC1.CN1CCCN(C)C1=O>[C:4]1([CH2:18][CH2:19][N:20]2[C:24]([C:83]3[CH:84]=[CH:85][CH:80]=[CH:81][C:82]=3[CH3:86])=[C:23]([C:26]([O:28][CH2:29][CH3:30])=[O:27])[C:22]([N:31]([CH2:69][CH2:70][CH3:71])[CH2:32][C:33]3[CH:34]=[CH:35][C:36]([C:39]4[CH:44]=[CH:43][CH:42]=[CH:41][C:40]=4[C:45]4[N:49]([C:50]([C:51]5[CH:56]=[CH:55][CH:54]=[CH:53][CH:52]=5)([C:57]5[CH:62]=[CH:61][CH:60]=[CH:59][CH:58]=5)[C:63]5[CH:68]=[CH:67][CH:66]=[CH:65][CH:64]=5)[N:48]=[N:47][N:46]=4)=[CH:37][CH:38]=3)=[N:21]2)[CH:7]=[CH:6][CH:1]=[CH:2][CH:3]=1 | 1 |
C1(=CC=CC=C1)NCC(=O)NC1=C(C=C(C=C1)S(N)(=O)=O)Cl>N(C)(C)C=O.O.CO[H].C=O.C1=CC=CC=C1>C1(=CC=CC=C1)N1CN(C(C1)=O)C1=C(C=C(C=C1)S(N)(=O)=O)Cl | 3 |
C(C(C)C)[Mg]Br.FC(S(=O)(=O)OC1=CC(=CC=C1)OC)(F)F>C1CCCO1.CN1C(CCC1)=O.C/C(=C\C(=O)C)/[O-].C/C(=C\C(=O)C)/[O-].C/C(=C\C(=O)C)/[O-].[Fe+3]>C(C(C)C)C1=CC(=CC=C1)OC | 3 |
N1=C(N=CC=C1)N1CCNCC1.N1C=CC2=CC=CC(=C12)C(=O)O>N(C)(C)C=O.C(=O)(C=1NC=CN1)C=1NC=CN1>N1C=CC2=CC=CC(=C12)C(=O)N1CCN(CC1)C1=NC=CC=N1 | 3 |
[C:1]([C:4]1[O:5][C:6]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)=[CH:7][C:8](=[O:11])[C:9]=1[OH:10])(=[O:3])[CH3:2].C(=O)([O-])[O-].[K+].[K+].[CH2:24](Br)[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1.CN(C=O)C>O>[C:1]([C:4]1[O:5][C:6]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)=[CH:7][C:8](=[O:11])[C:9]=1[O:10][CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)(=[O:3])[CH3:2] | 1 |
COC1=C(CN2C(N(CC3=C2N=CC=C3)C3CCN(CC3)C(=O)OC(C)(C)C)=O)C=CC(=C1)OC>>N1CCC(CC1)N1C(NC2=C(C1)C=CC=N2)=O | 5 |
CCOC(/N=N/C(OCC)=O)=O.[C:13]([Si:17]([CH3:24])([CH3:23])[O:18][CH:19]([CH3:22])[CH2:20][OH:21])([CH3:16])([CH3:15])[CH3:14].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.O[N:45]1[C:49](=[O:50])[C:48]2=[CH:51][CH:52]=[CH:53][CH:54]=[C:47]2[C:46]1=[O:55]>C1COCC1>[C:13]([Si:17]([CH3:24])([CH3:23])[O:18][CH:19]([CH3:22])[CH2:20][O:21][N:45]1[C:49](=[O:50])[C:48]2[C:47](=[CH:54][CH:53]=[CH:52][CH:51]=2)[C:46]1=[O:55])([CH3:15])([CH3:16])[CH3:14] | 2 |
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH:3]=[C:2]1[C:10]([O:12]CC)=O.[H-].[Na+].[C:17]([O:21][CH2:22][CH3:23])(=[O:20])[CH:18]=[CH2:19]>C1(C)C=CC=CC=1>[O:12]=[C:10]1[C:2]2=[CH:3][C:4]3[CH:5]=[CH:6][CH:7]=[CH:8][C:9]=3[N:1]2[CH2:19][CH:18]1[C:17]([O:21][CH2:22][CH3:23])=[O:20] | 1 |
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.CC(C)([O-])C.[Na+].[Cl:53][C:54]1[CH:63]=[C:62]2[C:57]([C:58]([NH:64][C@H:65]3[CH2:70][CH2:69][C@@H:68]([NH:71]C4C5C(=CC(Cl)=CC=5)N=CC=4)[CH2:67][CH2:66]3)=[CH:59][CH:60]=[N:61]2)=[CH:56][CH:55]=1.[Br:83][C:84]1[C:85](Br)=[C:86]([CH3:90])[CH:87]=[CH:88][CH:89]=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]>[Br:83][C:84]1[CH:89]=[C:88]([NH:71][CH:68]2[CH2:67][CH2:66][CH:65]([NH:64][C:58]3[C:57]4[C:62](=[CH:63][C:54]([Cl:53])=[CH:55][CH:56]=4)[N:61]=[CH:60][CH:59]=3)[CH2:70][CH2:69]2)[CH:87]=[C:86]([CH3:90])[CH:85]=1 | 1 |
O/N=C(/CC1=NC(=NC=C1)SC)\C>C1CCCO1.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.CCN(CC)CC.[Fe](Cl)Cl>CC1=NN2C(=NC=CC2=C1)SC | 3 |
[NH2:1][C:2]1[N:7]=[C:6]([C:8]2[S:12][C:11]([C@@:13]3([OH:27])[CH2:22][CH2:21][CH2:20][C:19]4[CH:18]=[C:17]([C:23]([O:25][CH3:26])=[O:24])[CH:16]=[CH:15][C:14]3=4)=[N:10][CH:9]=2)[CH:5]=[C:4]([CH3:28])[CH:3]=1.Br[C:30]1[CH:35]=[C:34]([Cl:36])[CH:33]=[CH:32][N:31]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>O1CCOCC1.[Pd].[Pd].C(=CC(C=CC1C=CC=CC=1)=O)C1C=CC=CC=1.C(=CC(C=CC1C=CC=CC=1)=O)C1C=CC=CC=1.C(=CC(C=CC1C=CC=CC=1)=O)C1C=CC=CC=1>[CH3:26][O:25][C:23]([C:17]1[CH:16]=[CH:15][C:14]2[C:13]([C:11]3[S:12][C:8]([C:6]4[CH:5]=[C:4]([CH3:28])[CH:3]=[C:2]([NH:1][C:30]5[CH:35]=[C:34]([Cl:36])[CH:33]=[CH:32][N:31]=5)[N:7]=4)=[CH:9][N:10]=3)([OH:27])[CH2:22][CH2:21][CH2:20][C:19]=2[CH:18]=1)=[O:24] | 2 |
[CH:1]1[C:14]2[C:13]3([C:16](O)=[O:17])[CH2:15][CH:6]([C:7]4[C:12]3=[CH:11][CH:10]=[CH:9][CH:8]=4)[C:5]=2[CH:4]=[CH:3][CH:2]=1.S(Cl)(Cl)=O.[NH:23]1[CH2:33][CH2:32][CH:26]([C:27]([O:29][CH2:30][CH3:31])=[O:28])[CH2:25][CH2:24]1>C1(C)C=CC=CC=1.CN(C)C=O>[CH:11]1[C:12]2[C:13]3([C:16]([N:23]4[CH2:24][CH2:25][CH:26]([C:27]([O:29][CH2:30][CH3:31])=[O:28])[CH2:32][CH2:33]4)=[O:17])[CH2:15][CH:6]([C:5]4[C:14]3=[CH:1][CH:2]=[CH:3][CH:4]=4)[C:7]=2[CH:8]=[CH:9][CH:10]=1 | 1 |
ICCCCCCNC(OC(C)(C)C)=O.COC(CC1=CC=CC2=CC=CC=C12)=O>C1CCCO1.CN(P(=O)(N(C)C)N(C)C)C.C(C)(C)[N-]C(C)C.[Li+]>COC(C(C1=CC=CC2=CC=CC=C12)CCCCCCNC(=O)OC(C)(C)C)=O | 3 |
FC(C=1C(=CC2=CN(N=C2C1)C1CCC(CC1)C(=O)OCC)[N+](=O)[O-])F>[HH].[Pd]>NC1=CC2=CN(N=C2C=C1C(F)F)C1CCC(CC1)C(=O)OCC | 3 |
CN.BrC1=C(N=CS1)C(=O)OCC>CC#N.C1CCC2=NCCCN2CC1>CNC1=C(N=CS1)C(=O)OCC | 3 |
C(C)(C)(C)OC(N[C@@H](CC1=CC=C(C=C1)OC1=CC=C(C=C1)Cl)CN(O)C(C)=O)=O>Cl>Cl.N[C@H](CN(C(C)=O)O)CC1=CC=C(C=C1)OC1=CC=C(C=C1)Cl | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:16]3[CH:15]=[C:14]4[CH2:17][CH2:18][C@H:19]5[C:24]([C@@:13]4([CH3:29])[CH2:12][C:11]=3[CH:10]=[N:9]2)=[CH:23][CH2:22][CH2:21][C@H:20]5[C:25]([O:27]C)=[O:26])=[CH:4][CH:3]=1.FC1C=CC(N2C3C=C4CC[C@H]5C([C@@]4(C)CC=3C=N2)=CCC[C@@H]5C(OC)=O)=CC=1.[Li+].[OH-]>C1COCC1.CO.O.Cl>[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:16]3[CH:15]=[C:14]4[CH2:17][CH2:18][C@H:19]5[C:24]([C@@:13]4([CH3:29])[CH2:12][C:11]=3[CH:10]=[N:9]2)=[CH:23][CH2:22][CH2:21][CH:20]5[C:25]([OH:27])=[O:26])=[CH:4][CH:3]=1 | 2 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[CH2:7][CH2:8][C:9]([NH2:11])=[O:10].Br[CH2:13][C:14]([C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)=O>CC(C)=O>[C:16]1([C:14]2[C:7]([CH2:8][C:9]([NH2:11])=[O:10])=[C:2]3[N:1]([CH:13]=2)[CH:6]=[CH:5][CH:4]=[CH:3]3)[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1 | 1 |
ClC=1C=C(CBr)C=CC1.ClC1=CC=C(C=C1)S(=O)(=O)NCC1=CC=C(C(=O)OC)C=C1>CC#N.C([O-])([O-])=O.[K+].[K+]>ClC=1C=C(CN(S(=O)(=O)C2=CC=C(C=C2)Cl)CC2=CC=C(C(=O)OC)C=C2)C=CC1 | 3 |
[C:1]([OH:16])(=[O:15])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14].[CH3:17][N:18]([CH3:23])[CH2:19][CH2:20][CH2:21]O>CCCCCCC>[C:1]([O:16][CH2:21][CH2:20][CH2:19][N:18]([CH3:23])[CH3:17])(=[O:15])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14] | 2 |
COC1=C(C=CC=C1)N1CCNCC1>S(O)(O)(=O)=O.C([O-])([O-])=O.[Na+].[Na+].[N+](=O)([O-])[O-].[K+]>COC1=C(C=C(C=C1)[N+](=O)[O-])N1CCNCC1 | 3 |
Cl.O[CH2:3][C:4]1[N:9]=[CH:8][C:7]([OH:10])=[CH:6][CH:5]=1.CCN(C(C)C)C(C)C.[O:20](C(OC(C)(C)C)=O)[C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=O>CN(C=O)C>[C:24]([O:23][C:21]([N:9]1[CH2:8][CH:7]([OH:10])[CH2:6][CH2:5][CH:4]1[CH3:3])=[O:20])([CH3:27])([CH3:26])[CH3:25] | 1 |
COC=1C=C(C(=O)Cl)C=CC1.CN1CCN(CC1)C1=CC(=NC(=N1)N)NC1CCNCC1>ClCCl.C(C)(C)N(C(C)C)CC>COC=1C=C(C(=O)N2CCC(CC2)NC2=NC(=NC(=C2)N2CCN(CC2)C)N)C=CC1 | 3 |
C(C)(C)(C)OC(=O)N1CC(CC1)O.ClC1=CC(=NC2=CC=C(C=C12)OC(F)(F)F)N1CCS(C2=C(C1)C=CC=C2)(=O)=O>O1CCOCC1.CC(C)(C)[O-].[Na+].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].C1(=CC=CC=C1)P([C-]1C=CC=C1)C1=CC=CC=C1.[C-]1(C=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.[Fe+2]>O=S1(CCN(CC2=C1C=CC=C2)C2=NC1=CC=C(C=C1C(=C2)OC2CN(CC2)C(=O)OC(C)(C)C)C)=O | 3 |
C(#N)C1CCN(CC1)C(=O)[C@@H](C(C)(C)C)NC(=O)C1=CN(C=2N=CC(=NC21)Br)COCC[Si](C)(C)C.C1(CC1)CN1C=NC(=C1)[Sn](CCCC)(CCCC)CCCC>>C(#N)C1CCN(CC1)C(=O)[C@@H](C(C)(C)C)NC(=O)C1=CN(C2=NC=C(N=C21)C=2N=CN(C2)CC2CC2)COCC[Si](C)(C)C | 5 |
ClC1=C(C(=CC=C1)Cl)N1C=C(C=C1)C=O>>ClC1=C(C(=CC=C1)Cl)N1C=C(C=C1)C(=O)O | 5 |
[CH2:1]1[O:10][C:9]2[CH:8]=[CH:7][C:5]([NH2:6])=[CH:4][C:3]=2[O:2]1.Cl[C:12]1[C:17]([N+:18]([O-:20])=[O:19])=[CH:16][C:15]([N+:21]([O-:23])=[O:22])=[CH:14][N:13]=1>CO>[CH2:1]1[O:10][C:9]2[CH:8]=[CH:7][C:5]([NH:6][C:12]3[C:17]([N+:18]([O-:20])=[O:19])=[CH:16][C:15]([N+:21]([O-:23])=[O:22])=[CH:14][N:13]=3)=[CH:4][C:3]=2[O:2]1 | 1 |
C([O:5][C:6]([N:8]1[CH:12]([CH2:13][N:14]([C:21]([O:23][CH2:24][C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)=[O:22])[C@H:15](C(OC)=O)[CH3:16])[CH2:11][CH2:10][C@H:9]1[CH2:31][CH:32]=[CH2:33])=O)(C)(C)C.C(=O)([O-])[O-].[K+].[K+]>Cl>[CH2:24]([O:23][C:21]([N:14]1[C@@H:15]([CH3:16])[C:6](=[O:5])[N:8]2[CH:9]([CH2:31][CH:32]=[CH2:33])[CH2:10][CH2:11][C@H:12]2[CH2:13]1)=[O:22])[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1 | 1 |
Cl[C:2]1[CH:7]=[C:6]([NH:8][CH2:9][CH2:10][NH2:11])[CH:5]=[C:4]([CH3:12])[N:3]=1.[Na].[CH3:14][CH:15]([CH2:18][CH3:19])[CH2:16][OH:17].C1(OC2C=CC=CC=2)C=CC=CC=1>CS(C)=O>[CH3:12][C:4]1[CH:5]=[C:6]([NH:8][CH2:9][CH2:10][NH2:11])[CH:7]=[C:2]([O:17][CH2:16][CH:15]([CH3:14])[CH2:18][CH3:19])[N:3]=1 | 1 |
[Cl:1][C:2]1[C:7]2[S:8][CH:9]=[C:10]([CH2:11][O:12][C@@H:13]([C:20]3[CH:25]=[CH:24][C:23]([Cl:26])=[CH:22][C:21]=3[Cl:27])[CH2:14][N:15]3[CH:19]=[CH:18][N:17]=[CH:16]3)[C:6]=2[CH:5]=[CH:4][CH:3]=1.O.[N+:29]([O-:32])([OH:31])=[O:30]>C(O)C>[N+:29]([O-:32])([OH:31])=[O:30].[Cl:1][C:2]1[C:7]2[S:8][CH:9]=[C:10]([CH2:11][O:12][C@@H:13]([C:20]3[CH:25]=[CH:24][C:23]([Cl:26])=[CH:22][C:21]=3[Cl:27])[CH2:14][N:15]3[CH:19]=[CH:18][N:17]=[CH:16]3)[C:6]=2[CH:5]=[CH:4][CH:3]=1 | 2 |
BrC1=NN2C(C(=CC(=C2)C(=O)N2CC(OC[C@H]2C)C)OC)=N1.Cl.ClC=1C=C(C=CC1)C(CF)N>>ClC=1C=C(C=CC1)C(CF)NC1=NN2C(C(=CC(=C2)C(=O)N2CC(OC[C@H]2C)C)OC)=N1 | 5 |
[C:1]([C:3]1[CH:4]=[C:5]2[C:9](=[CH:10][CH:11]=1)[N:8]([CH2:12][CH2:13]C)[CH:7]=[C:6]2[CH:15]1[CH2:20][CH2:19][C:18](=O)[CH2:17][CH2:16]1)#[N:2].[NH:22]1[C:30]2[C:25](=[C:26]([N:31]3[CH2:36][CH2:35][NH:34][CH2:33][CH2:32]3)[CH:27]=[CH:28][CH:29]=2)[CH:24]=[CH:23]1.[C:37](O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C(O)(=O)C>ClCCCl>[CH3:13][CH:12]([N:8]1[C:9]2[CH:10]=[CH:11][C:3]([C:1]#[N:2])=[CH:4][C:5]=2[C:6]([CH:15]2[CH2:20][CH2:19][CH:18]([N:34]3[CH2:35][CH2:36][N:31]([C:26]4[C:25]5[CH:24]=[CH:23][NH:22][C:30]=5[CH:29]=[CH:28][CH:27]=4)[CH2:32][CH2:33]3)[CH2:17][CH2:16]2)=[CH:7]1)[CH3:37] | 1 |
[NH2:1][C:2]1[CH:3]=[C:4]2[C:13](=[CH:14][C:15]=1[O:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)[O:12][CH2:11][C:10]1[N:5]2[CH:6]([CH3:24])[C:7](=[O:23])[NH:8][N:9]=1.N[CH:26]1[CH2:29][N:28]([C:30]([O:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[O:31])[CH2:27]1.C([BH3-])#N.[Na+]>CO.CC(O)=O>[C:33]([O:32][C:30]([N:28]1[CH2:29][CH:26]([NH:1][C:2]2[CH:3]=[C:4]3[C:13](=[CH:14][C:15]=2[O:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[O:12][CH2:11][C:10]2[N:5]3[CH:6]([CH3:24])[C:7](=[O:23])[NH:8][N:9]=2)[CH2:27]1)=[O:31])([CH3:36])([CH3:34])[CH3:35] | 1 |
CC(OC([NH:8][C@H:9]([C:23]([OH:25])=O)[CH2:10][C:11]1[N:15]=[CH:14][N:13](C(OC(C)(C)C)=O)[CH:12]=1)=O)(C)C.C1CCC(NC2CCCCC2)CC1.CC(OC([NH:46][C@H:47]([C:65]([OH:67])=[O:66])[CH2:48][C:49]1[C:57]2[C:52](=[CH:53][CH:54]=[CH:55][CH:56]=2)[N:51](C(OC(C)(C)C)=O)[CH:50]=1)=O)(C)C.F[P-](F)(F)(F)(F)F.N1(O[P+](N(C)C)(N(C)C)N(C)C)C2C=CC=CC=2N=N1.CCN(C(C)C)C(C)C>CN(C=O)C>[CH:55]1[CH:54]=[CH:53][C:52]2[NH:51][CH:50]=[C:49]([CH2:48][C@H:47]([NH:46][C:23]([C@@H:9]([NH2:8])[CH2:10][C:11]3[N:15]=[CH:14][NH:13][CH:12]=3)=[O:25])[C:65]([OH:67])=[O:66])[C:57]=2[CH:56]=1 | 2 |
C(C)(C)I.ClC1=CC=C(C=C1)N1S(C2=C(N(C1=O)C)C=C(C=C2)O)(=O)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=CC=C(C=C1)N1S(C2=C(N(C1=O)C)C=C(C=C2)OC(C)C)(=O)=O | 3 |
S1C=C(C=C1)NC(CCCC)=O>>C(CCCC)NC1=CSC=C1 | 5 |
N[C@H]1[C@H](COCC1)NC(OC(C)(C)C)=O.CSC=1N=NC(=C(N1)NC1=CC=C(C=C1)C)C(=O)N>>N[C@H]1COCC[C@H]1NC=1N=NC(=C(N1)NC1=CC=C(C=C1)C)C(=O)N | 5 |
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