smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)OC(CC(=O)N1[C@@H](CCC1(C)CC(=O)OC)C(=O)OCC)=O>CCO[H].CC[O-].[Na+]>CC12C(C(CC(N2[C@@H](CC1)C(=O)OCC)=O)=O)C(=O)OCC | 3 |
ClC1=C(C#N)C=CC(=C1)N1C(C(=CC1=O)O)CCC>CC#N.[Na+].[BH4-].C(C)(=O)O>ClC1=C(C#N)C=CC(=C1)N1[C@H]([C@H](CC1=O)O)CCC | 3 |
ClC1C=C2C(=CC=1)[N:7](S(C1C=CC=CC=1)(=O)=O)C(C(OCC)=O)=C2S(Cl)(=O)=O.[Br:29][C:30]1[CH:31]=[C:32]2[C:36](=[CH:37][CH:38]=1)[N:35](S(C1C=CC=CC=1)(=O)=O)[C:34]([C:48]([O:50]CC)=O)=[C:33]2[S:53](Cl)(=[O:55])=[O:54].N1CCOCC1.Cl.[N:64]1([CH2:70][CH2:71][CH2:72][N:73]2[CH2:78][CH2:77][NH:76][CH2:75][C:74]2=[O:79])[CH2:69][CH2:68][O:67][CH2:66][CH2:65]1>>[Br:29][C:30]1[CH:31]=[C:32]2[C:36](=[CH:37][CH:38]=1)[NH:35][C:34]([C:48]([NH2:7])=[O:50])=[C:33]2[S:53]([N:76]1[CH2:77][CH2:78][N:73]([CH2:72][CH2:71][CH2:70][N:64]2[CH2:69][CH2:68][O:67][CH2:66][CH2:65]2)[C:74](=[O:79])[CH2:75]1)(=[O:54])=[O:55] | 1 |
C[O:2][C:3](=[O:16])[CH2:4][O:5][C:6]1[CH:14]=[CH:13][C:12]([SH:15])=[C:11]2[C:7]=1[CH2:8][CH2:9][CH2:10]2.[CH2:17]([O:24][C:25]1[CH:30]=[CH:29][C:28]([CH2:31]Cl)=[CH:27][CH:26]=1)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1.OCC1C=CC(O)=CC=1.BrCC1C=CC=CC=1.ClCC1(C(F)(F)F)C=CC(OCC2C=CC=CC=2)=CC1>>[CH2:17]([O:24][C:25]1[CH:26]=[CH:27][C:28]([CH2:31][S:15][C:12]2[CH:13]=[CH:14][C:6]([O:5][CH2:4][C:3]([OH:2])=[O:16])=[C:7]3[C:11]=2[CH2:10][CH2:9][CH2:8]3)=[CH:29][CH:30]=1)[C:18]1[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=1 | 1 |
C(C)(C)(C)OC(=O)NC(C(=O)OCC1=CC=CC=C1)C1(CCCC1)O>CCO[H].[HH].[Pd]>C(C)(C)(C)OC(=O)NC(C(=O)O)C1(CCCC1)O | 3 |
[CH2:1]=[C:2]1[C:19]2[C@:14]([CH3:21])([CH2:15][CH2:16][C:17](=[O:20])[CH:18]=2)[C@@H:13]2[C@H:4]([C@H:5]3[C@@:9]([CH2:11][CH2:12]2)([CH3:10])[C:8](=[O:22])[CH2:7][CH2:6]3)[CH2:3]1.C1(Cl)C(=O)C(Cl)=C(Cl)C(=O)C=1Cl.CO.CC(OC)(C)C>CN1CCCC1>[CH2:1]=[C:2]1[C:19]2[C@:14]([CH3:21])([CH:15]=[CH:16][C:17](=[O:20])[CH:18]=2)[C@@H:13]2[C@H:4]([C@H:5]3[C@@:9]([CH2:11][CH2:12]2)([CH3:10])[C:8](=[O:22])[CH2:7][CH2:6]3)[CH2:3]1 | 1 |
[Br-].[Br:2][CH2:3][C:4]1[CH:45]=[CH:44][CH:43]=[CH:42][C:5]=1[CH2:6][N:7]1[C:39]([S:40][CH3:41])=[C:10]2[S:11][C:12]([C:14]3[C@H:15]([CH3:38])[C@@H:16]4[C@@H:33]([C@H:34]([OH:36])[CH3:35])[C:32](=[O:37])[N:17]4[C:18]=3[C:19]([O:21]CC3C=CC([N+]([O-])=O)=CC=3)=[O:20])=[CH:13][N+:9]2=[CH:8]1.[CH3:46][N:47]1[CH2:52][CH2:51][O:50][CH2:49][CH2:48]1>>[Br-:2].[OH:36][C@@H:34]([C@H:33]1[C:32](=[O:37])[N:17]2[C:18]([C:19]([O-:21])=[O:20])=[C:14]([C:12]3[S:11][C:10]4=[C:39]([S:40][CH3:41])[N:7]([CH2:6][C:5]5[CH:42]=[CH:43][CH:44]=[CH:45][C:4]=5[CH2:3][N+:47]5([CH3:46])[CH2:52][CH2:51][O:50][CH2:49][CH2:48]5)[CH:8]=[N+:9]4[CH:13]=3)[C@H:15]([CH3:38])[C@H:16]12)[CH3:35] | 2 |
[Br:1][C:2]1[CH:3]=[N:4][N:5]([C:7]2[CH:12]=[CH:11][N:10]=[CH:9][C:8]=2[N:13]2[CH2:18][CH2:17][CH:16]([C:19]([OH:21])=O)[CH2:15][CH2:14]2)[CH:6]=1.Cl.[F:23][C@H:24]1[CH2:28][CH2:27][NH:26][CH2:25]1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C>C(OCC)(=O)C.O.CN(C=O)C>[Br:1][C:2]1[CH:3]=[N:4][N:5]([C:7]2[CH:12]=[CH:11][N:10]=[CH:9][C:8]=2[N:13]2[CH2:14][CH2:15][CH:16]([C:19]([N:26]3[CH2:27][CH2:28][C@H:24]([F:23])[CH2:25]3)=[O:21])[CH2:17][CH2:18]2)[CH:6]=1 | 2 |
[Cl-].C(C)(C)(C)OC(=O)N1CCC2(C[NH2+]C2)CC1.C(C1=CC=CC=C1)OC1=NC(=CC=C1C1=CC(=C(C=C1)Br)F)OCC1=CC=CC=C1>O.O1CCOCC1.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].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.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C1=CC=CC=C1)OC1=NC(=CC=C1C1=CC(=C(C=C1)N1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C)F)OCC2=CC=CC=C2 | 3 |
C(=O)(OC(C)(C)C)N[C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O>>C(C)(C)(C)OC(N[C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])C(N)=O)=O | 5 |
[CH2:1]([O:8][C:9]1[CH:10]=[C:11]([OH:35])[C:12]2[C:13](=[O:34])[C:14]3[C:19]([O:20][C:21]=2[C:22]=1[CH2:23][CH:24]=[CH2:25])=[C:18]([O:26][CH2:27][C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)[CH:17]=[CH:16][CH:15]=3)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H-].[Na+].[CH3:38]I.CO>CN(C=O)C>[CH2:1]([O:8][C:9]1[CH:10]=[C:11]([O:35][CH3:38])[C:12]2[C:13](=[O:34])[C:14]3[C:19]([O:20][C:21]=2[C:22]=1[CH2:23][CH:24]=[CH2:25])=[C:18]([O:26][CH2:27][C:28]1[CH:29]=[CH:30][CH:31]=[CH:32][CH:33]=1)[CH:17]=[CH:16][CH:15]=3)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[NH2:1][C:2](=[NH:18])[N:3]1[CH2:8][CH2:7][CH2:6][CH:5]([CH2:9][NH:10][C:11](=[O:17])[O:12][C:13]([CH3:16])([CH3:15])[CH3:14])[CH2:4]1.CN([CH:22]=[C:23]1[C:28](=O)[CH2:27][CH2:26][N:25]([CH3:30])[CH2:24]1)C.C[O-].[Na+]>C(O)C>[CH3:30][N:25]1[CH2:26][CH2:27][C:28]2[N:18]=[C:2]([N:3]3[CH2:8][CH2:7][CH2:6][CH:5]([CH2:9][NH:10][C:11](=[O:17])[O:12][C:13]([CH3:15])([CH3:14])[CH3:16])[CH2:4]3)[N:1]=[CH:22][C:23]=2[CH2:24]1 | 2 |
[N:1]1[NH:2][CH:3]=[C:4]2[CH2:8][N:7]([C:9]([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10])[CH2:6][C:5]=12.[H-].[Na+].I[CH2:19][C:20]([NH2:22])=[O:21]>C(#N)C>[NH2:22][C:20](=[O:21])[CH2:19][N:2]1[CH:3]=[C:4]2[CH2:8][N:7]([C:9]([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10])[CH2:6][C:5]2=[N:1]1 | 1 |
[CH:1]([C:3]1[CH:8]=[CH:7][C:6]([O:9][C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([CH3:16])[N:11]=2)=[CH:5][CH:4]=1)=[CH2:2].B1C2CCCC1CCC2.C1C[O:29]CC1>>[CH3:16][C:12]1[N:11]=[C:10]([O:9][C:6]2[CH:5]=[CH:4][C:3]([CH2:1][CH2:2][OH:29])=[CH:8][CH:7]=2)[CH:15]=[CH:14][CH:13]=1 | 1 |
[F:1][C:2]([F:33])([F:32])[C:3]1[CH:4]=[C:5]([CH:25]=[C:26]([C:28]([F:31])([F:30])[F:29])[CH:27]=1)[CH2:6][NH:7][C:8]1[N:13]=[CH:12][C:11]([O:14][CH2:15][CH2:16][CH2:17][C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])=[CH:10][N:9]=1.[H-].[Na+].[Br:36][C:37]1[CH:42]=[C:41]([O:43][CH3:44])[C:40]([O:45][CH3:46])=[CH:39][C:38]=1[CH2:47]Cl.[Cl-].[NH4+]>CN(C=O)C.C(OCC)(=O)C>[F:33][C:2]([F:1])([F:32])[C:3]1[CH:4]=[C:5]([CH:25]=[C:26]([C:28]([F:29])([F:30])[F:31])[CH:27]=1)[CH2:6][N:7]([CH2:47][C:38]1[CH:39]=[C:40]([O:45][CH3:46])[C:41]([O:43][CH3:44])=[CH:42][C:37]=1[Br:36])[C:8]1[N:9]=[CH:10][C:11]([O:14][CH2:15][CH2:16][CH2:17][C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])=[CH:12][N:13]=1 | 1 |
C(C)(C)(C)OC(=O)N[C@@H]1[C@@H](CCCC1)N.ClC1=CC(=C(N=N1)C(=O)N)NC1=NC(=C(C=C1)C)C>N.CN1C(CCC1)=O>C(N)(=O)C1=C(C=C(N=N1)N[C@H]1[C@H](CCCC1)NC(OC(C)(C)C)=O)NC1=NC(=C(C=C1)C)C | 3 |
[Cl:1][C:2]1[C:3]([F:40])=[C:4]([C:8]([C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][N:35]=2)([C:10]2[N:14]([C:15]([C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=3)([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)[C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)[CH:13]=[N:12][CH:11]=2)[OH:9])[CH:5]=[CH:6][CH:7]=1.CC(O)C.[OH-].[Na+]>I.C(Cl)(Cl)Cl>[Cl:1][C:2]1[C:3]([F:40])=[C:4]([C:8]([C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][N:35]=2)([C:10]2[N:14]([C:15]([C:16]3[CH:17]=[CH:18][CH:19]=[CH:20][CH:21]=3)([C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=3)[C:22]3[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=3)[CH:13]=[N:12][CH:11]=2)[OH:9])[CH:5]=[CH:6][CH:7]=1.[Cl:1][C:2]1[C:3]([F:40])=[C:4]([CH:8]([C:10]2[NH:14][CH:13]=[N:12][CH:11]=2)[C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][N:35]=2)[CH:5]=[CH:6][CH:7]=1 | 2 |
CS(=O)(=O)Cl.CC1=CC=CC(=N1)CO.ClC1=C(C=CC(=C1)NC1=NC=NC2=CC=CC(=C12)OCC1CCN(CC1)C(CO)=O)O>ClCCl.C(C)(C)N(C(C)C)CC.CN(C(C)=O)C>ClC=1C=C(C=CC1OCC1=NC(=CC=C1)C)NC1=NC=NC2=CC=CC(=C12)OCC1CCN(CC1)C(CO)=O | 3 |
[NH2:1][C:2]1[C:11]([C:12]#[N:13])=[C:10](Br)[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1.[CH3:15][C:16]1[CH:21]=[CH:20][C:19](B(O)O)=[CH:18][CH:17]=1.C1(P(C2CCCCC2)C2C=CC=CC=2C2C=CC=CC=2N(C)C)CCCCC1.[O-]P([O-])([O-])=O.[K+].[K+].[K+]>C1(C)C=CC=CC=1.C(OCC)C.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[NH2:1][C:2]1[C:11]([C:12]#[N:13])=[C:10]([C:19]2[CH:20]=[CH:21][C:16]([CH3:15])=[CH:17][CH:18]=2)[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1 | 2 |
[C:1]([CH2:6][CH2:7][CH2:8][CH2:9][C:10]1[C:11](=[O:15])[CH2:12][CH2:13][CH:14]=1)(OCC)=[O:2].C(CCCCC1C(=O)CCC=1)(OCC)=O.[CH:31]1[C:32](/[CH:47]=[N:48]/[OH:49])=[CH:33][CH:34]=[N+:35]([CH2:37][N+:38]2[CH:43]=[CH:42][C:41](/[CH:44]=[N:45]/[OH:46])=[CH:40][CH:39]=2)[CH:36]=1.[Br-:50].[Br-].[H-].C([Al+]CC(C)C)C(C)C.[K+].[Br-]>CO>[OH:2][CH2:1][CH2:6][CH2:7][CH2:8][CH2:9][C:10]1[C:11](=[O:15])[CH2:12][CH2:13][CH:14]=1.[CH:33]1[C:32](/[CH:47]=[N:48]/[OH:49])=[CH:31][CH:36]=[N+:35]([CH2:37][N+:38]2[CH:39]=[CH:40][C:41](/[CH:44]=[N:45]/[OH:46])=[CH:42][CH:43]=2)[CH:34]=1.[Br-:50].[Br-:50] | 1 |
C(C)(=O)OC(C)=O.C1(\C=C/C(=O)O1)=O>C(Cl)(Cl)(Cl)[H].CCN(CC)CC>C=CC=C.C1(C=CC(N1)=O)=O.C1(C=CC(N1)=O)=O.C(C=C)#N | 3 |
[C:1](Cl)(=O)[CH2:2][CH3:3].[NH2:6][CH:7]1[CH2:16][C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[O:9][CH2:8]1.[H-].[H-].[H-].[H-].[Li+].[Al+3]>C(Cl)Cl.C([O-])([O-])=O.[Na+].[Na+].C1COCC1>[CH2:1]([NH:6][CH:7]1[CH2:16][C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[O:9][CH2:8]1)[CH2:2][CH3:3] | 1 |
C(=O)C1=CC=C(C(=O)NCC=2OC=CC2)C=C1.FC(C(=O)[O-])(F)F.FC1=CC=C(C=C1)CCC(C[N+]1=CC=CC=C1)=O.C(C)(C)(C)OC(N[C@H](C(C)C)C(=O)C1C(OC(OC1=O)(C)C)=O)=O>>FC1=CC=C(C=C1)CCC1=CC(=C2C(=N1)C(NC2=O)C(C)C)C2=CC=C(C(=O)NCC=1OC=CC1)C=C2 | 5 |
[H-].[Na+].[CH:3]1([C:6]2[CH:11]=[C:10]([CH3:12])[C:9]([OH:13])=[C:8]([CH3:14])[CH:7]=2)[CH2:5][CH2:4]1.[Cl:15][C:16]1[N:17]=[C:18](Cl)[C:19]2[NH:24][CH:23]=[CH:22][C:20]=2[N:21]=1>CN1C(=O)CCC1.O>[Cl:15][C:16]1[N:17]=[C:18]([O:13][C:9]2[C:8]([CH3:14])=[CH:7][C:6]([CH:3]3[CH2:5][CH2:4]3)=[CH:11][C:10]=2[CH3:12])[C:19]2[NH:24][CH:23]=[CH:22][C:20]=2[N:21]=1 | 1 |
[C:1]([O:5][C:6]([N:8]([CH2:20][CH:21]=[CH2:22])[C@@H:9]([CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)[C:10](O)=[O:11])=[O:7])([CH3:4])([CH3:3])[CH3:2].Cl.[CH3:24][N:25](C)CCCN=C=NCC.ON1C2C=CC=CC=2N=N1.Cl.CN.C(N(C(C)C)CC)(C)C>ClCCl.C(OCC)(=O)C>[CH3:24][NH:25][C:10](=[O:11])[C@@H:9]([N:8]([CH2:20][CH:21]=[CH2:22])[C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:7])[CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1 | 1 |
C(C1=CC=CC=C1)OCC=1N(C(=C(N1)SC1=CC(=CC=C1)Cl)C(C)C)C>Cl.C(O)([O-])=O.[Na+]>ClC=1C=C(C=CC1)SC=1N=C(N(C1C(C)C)C)CO | 3 |
[H-].[Na+].CI.[Br:5][C:6]1[CH:7]=[CH:8][CH:9]=[C:10]2[C:14]=1[NH:13][CH:12]=[CH:11]2.[C:15]([O-])(O)=O.[Na+]>C1COCC1.CCOC(C)=O>[CH3:15][N:13]1[C:14]2[C:10](=[CH:9][CH:8]=[CH:7][C:6]=2[Br:5])[CH:11]=[CH:12]1 | 1 |
C(#N)C=1C=C(C=CC1C(C)(F)F)CC(=O)OCC>CO[H].Cl.[OH-].[Na+]>C(#N)C=1C=C(C=CC1C(C)(F)F)CC(=O)O | 3 |
NC1=CC=C(CO)C=C1.ClC1=C(C=CC(=N1)C(=O)NC)[N+](=O)[O-]>C(C)(C)N(C(C)C)CC>OCC1=CC=C(C=C1)NC1=C(C=CC(=N1)C(=O)NC)[N+](=O)[O-] | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]([CH3:8])[CH:3]=1.[CH3:9][O:10][C:11]1[CH:20]=[CH:19][C:14]([C:15](OC)=[O:16])=[CH:13][CH:12]=1.C[Si]([N-][Si](C)(C)C)(C)C.[Li+].[Cl-].[NH4+]>O1CCCC1.C(OCC)(=O)C>[Br:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]([CH2:8][C:15]([C:14]2[CH:19]=[CH:20][C:11]([O:10][CH3:9])=[CH:12][CH:13]=2)=[O:16])[CH:3]=1 | 1 |
[S:1](=[O:26])(=[O:25])([O:3][CH2:4][C@@H:5]1[C@@H:12]2[C@@H:8]([O:9]C(C)(C)[O:11]2)[C@H:7]([C:15]2[C:19]3[N:20]=[CH:21][N:22]=[C:23]([NH2:24])[C:18]=3[NH:17][N:16]=2)[O:6]1)[NH2:2]>FC(F)(F)C(O)=O.O>[S:1](=[O:26])(=[O:25])([O:3][CH2:4][C@@H:5]1[C@@H:12]([OH:11])[C@@H:8]([OH:9])[C@H:7]([C:15]2[C:19]3[N:20]=[CH:21][N:22]=[C:23]([NH2:24])[C:18]=3[NH:17][N:16]=2)[O:6]1)[NH2:2] | 2 |
[Cl:1][C:2]1[CH:18]=[C:17]([C:19]2[N:23]=[C:22]([C:24]3[CH:29]=[C:28]([O:30][CH3:31])[N:27]=[C:26]([CH:32]4[CH2:36][CH2:35][CH2:34][CH2:33]4)[CH:25]=3)[O:21][N:20]=2)[CH:16]=[C:15]([CH3:37])[C:3]=1[O:4][CH2:5][CH2:6][CH2:7][C:8]([O:10]C(C)(C)C)=[O:9].C(O)(C(F)(F)F)=O>C(Cl)Cl>[Cl:1][C:2]1[CH:18]=[C:17]([C:19]2[N:23]=[C:22]([C:24]3[CH:29]=[C:28]([O:30][CH3:31])[N:27]=[C:26]([CH:32]4[CH2:33][CH2:34][CH2:35][CH2:36]4)[CH:25]=3)[O:21][N:20]=2)[CH:16]=[C:15]([CH3:37])[C:3]=1[O:4][CH2:5][CH2:6][CH2:7][C:8]([OH:10])=[O:9] | 1 |
C(C1=CC=CC=C1)(=O)C=1C=NC=CC1.BrC=1C=C2C(=C(C(=NC2=CC1)C(F)(F)F)C1=CC=CC=C1)C(F)(F)F>C1CCCO1.C(CCC)[Li]>C1(=CC=CC=C1)C(O)(C=1C=NC=CC1)C=1C=C2C(=C(C(=NC2=CC1)C(F)(F)F)C1=CC=CC=C1)C(F)(F)F | 3 |
[C:1]([C:5]1[N:10]=[C:9]([N:11]2[CH2:16][CH2:15][NH:14][CH2:13][CH2:12]2)[CH:8]=[C:7]([C:17]([CH3:20])([CH3:19])[CH3:18])[N:6]=1)([CH3:4])([CH3:3])[CH3:2].Br[CH2:22][CH2:23][CH2:24][Cl:25].[OH-].[Na+]>C1(C)C=CC=CC=1.[Br-].C([N+](CCCC)(CCCC)CCCC)CCC>[C:1]([C:5]1[N:10]=[C:9]([N:11]2[CH2:16][CH2:15][N:14]([CH2:22][CH2:23][CH2:24][Cl:25])[CH2:13][CH2:12]2)[CH:8]=[C:7]([C:17]([CH3:20])([CH3:19])[CH3:18])[N:6]=1)([CH3:4])([CH3:3])[CH3:2] | 1 |
CC1(OB(OC1(C)C)C1=CC=C(C=C1)C(C)(C)NC(C=C)=O)C.IC1=C(C2=C(N=CN=C2N)N1C)C1=CC=C(C=C1)OC1=NC=CC(=N1)C>N(C)(C)C=O.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].P(=O)([O-])([O-])[O-].[K+].[K+].[K+].C>NC=1C2=C(N=CN1)N(C(=C2C2=CC=C(C=C2)OC2=NC=CC(=N2)C)C2=CC=C(C=C2)C(C)(C)NC(C=C)=O)C | 3 |
C(C(C(=O)O)[C@@H](C(N[C@@H](C(O)=O)C)=O)NC(OCC1C=CC=CC=1)=[O:12])C1C=CC=CC=1.CN1CCOCC1.ClC(OCC)=O.N[CH:46]([CH:51]([CH3:53])[CH3:52])[C:47]([OH:50])([CH3:49])[CH3:48]>OP(O)=O.O[Mo](O)(=O)=O.C(OCC)(=O)C.CCCCCC.O1CCCC1>[OH:50][C:47]([CH3:49])([C:46](=[O:12])[CH:51]([CH3:53])[CH3:52])[CH3:48] | 1 |
C(Cl)(=O)C(Cl)=O.CS(C)=O.[CH3:11][C:12]1[CH:17]=[CH:16][C:15]([C:18]2[C:19]([C:24]([NH:26][C:27]3[CH:46]=[CH:45][C:30]([C:31]([N:33]([CH3:44])[C:34]4[CH:39]=[CH:38][CH:37]=[CH:36][C:35]=4[O:40][CH2:41][CH2:42][OH:43])=[O:32])=[CH:29][CH:28]=3)=[O:25])=[CH:20][CH:21]=[CH:22][CH:23]=2)=[CH:14][CH:13]=1.C(N(CC)CC)C>ClCCl>[CH3:11][C:12]1[CH:13]=[CH:14][C:15]([C:18]2[C:19]([C:24]([NH:26][C:27]3[CH:28]=[CH:29][C:30]([C:31]([N:33]([CH3:44])[C:34]4[CH:39]=[CH:38][CH:37]=[CH:36][C:35]=4[O:40][CH2:41][CH:42]=[O:43])=[O:32])=[CH:45][CH:46]=3)=[O:25])=[CH:20][CH:21]=[CH:22][CH:23]=2)=[CH:16][CH:17]=1 | 1 |
COC1OC(C=C1)OC.NC=1SC2=C(N1)C=C(C(=C2C2=CC=C(C=C2)Cl)[C@@H](C(=O)OC)OC(C)(C)C)C>CC#N.Cl.C(O)([O-])=O.[Na+]>C(C)(C)(C)O[C@H](C(=O)OC)C1=C(C2=C(N=C(S2)N2C(C=CC2)=O)C=C1C)C1=CC=C(C=C1)Cl | 3 |
FC=1C=C2CC(NC2=CC1)=O.C(C)N(CCNC(=O)C1=C(NC(=C1C)C=O)C)CC>C1CCNC1.C(C)(=O)OC(C)C>C(C)N(CCNC(=O)C1=C(NC(=C1C)\C=C\1/C(NC2=CC=C(C=C12)F)=O)C)CC | 3 |
[CH:1]1([C:4]2[CH:11]=[CH:10][C:7]([C:8]#[N:9])=[C:6]([OH:12])[N:5]=2)[CH2:3][CH2:2]1.C1C(=O)N([Br:20])C(=O)C1>ClCCCl>[Br:20][C:11]1[C:4]([CH:1]2[CH2:2][CH2:3]2)=[N:5][C:6]([OH:12])=[C:7]([CH:10]=1)[C:8]#[N:9] | 2 |
BrC1=CC(=C(C=C1)I)CBr>C1(=CC=CC=C1)C.N(C)(C)C=O.c3c(P(c1ccccc1)c2ccccc2)cccc3>[Br-].BrC=1C=CC(=C(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C1)I | 3 |
Cl[C:2]1[C:7]([N:8]2[CH2:13][CH2:12][NH:11][CH2:10][C@H:9]2[CH3:14])=[N:6][CH:5]=[CH:4][N:3]=1.[CH3:15][N:16]([CH3:30])[CH2:17][CH2:18][CH2:19][C:20]1[C:25]([O:26][CH2:27][CH2:28][OH:29])=[CH:24][CH:23]=[CH:22][N:21]=1>>[CH3:30][N:16]([CH3:15])[CH2:17][CH2:18][CH2:19][C:20]1[C:25]([O:26][CH2:27][CH2:28][O:29][C:2]2[C:7]([N:8]3[CH2:13][CH2:12][NH:11][CH2:10][C@H:9]3[CH3:14])=[N:6][CH:5]=[CH:4][N:3]=2)=[CH:24][CH:23]=[CH:22][N:21]=1 | 1 |
[C:1]1(OC2C=CC=CC=2)C=CC=C[CH:2]=1.C([C:16]1[C:21]([NH:22]/[C:23](=[CH:27]\[C:28]([O-:30])=O)/[C:24]([O-:26])=[O:25])=[C:20](CC)[C:19]([Cl:33])=[CH:18][C:17]=1[Cl:34])C>>[Cl:33][C:19]1[CH:18]=[C:17]([Cl:34])[CH:16]=[C:21]2[C:20]=1[C:28](=[O:30])[CH:27]=[C:23]([C:24]([O:26][CH2:1][CH3:2])=[O:25])[NH:22]2 | 1 |
[CH2:1]([NH:8][CH2:9][C:10]([OH:12])=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[N:13]#[C:14][OH:15]>>[CH2:1]([N:8]1[CH2:9][C:10](=[O:12])[NH:13][C:14]1=[O:15])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
S(OC1CC2C3C(=CC=CC=3)NC=2CC1)(C1C=CC(C)=CC=1)(=O)=O.C(N)C.[C:28]([NH:31][CH:32]1[CH2:44][C:43]2[C:42]3[C:37](=[CH:38][CH:39]=[CH:40][CH:41]=3)[NH:36][C:35]=2[CH2:34][CH2:33]1)(=O)[CH3:29].[H-].[Al+3].[Li+].[H-].[H-].[H-]>>[CH2:28]([NH:31][CH:32]1[CH2:44][C:43]2[C:42]3[C:37](=[CH:38][CH:39]=[CH:40][CH:41]=3)[NH:36][C:35]=2[CH2:34][CH2:33]1)[CH3:29] | 1 |
C(C)(C)(C)OC(=O)NC1=C(C=C(C=C1)C1=NC=CC=C1)NC(=O)C1=CC=C(C=C1)S(=NC(OC(C)(C)C)=O)(=O)C>ClCCl.C(=O)(C(F)(F)F)O>NC1=C(C=C(C=C1)C1=NC=CC=C1)NC(C1=CC=C(C=C1)S(=O)(=N)C)=O | 3 |
[F:1][C:2]1[CH:7]=[C:6]([N+:8]([O-:10])=[O:9])[CH:5]=[CH:4][C:3]=1[CH:11](C(OCC)=O)[C:12]([O:14][CH2:15][CH3:16])=[O:13].[Na+].[Cl-]>CS(C)=O.O.C(OCC)(=O)C>[F:1][C:2]1[CH:7]=[C:6]([N+:8]([O-:10])=[O:9])[CH:5]=[CH:4][C:3]=1[CH2:11][C:12]([O:14][CH2:15][CH3:16])=[O:13] | 2 |
C(C1=CC=CC=C1)(=O)N1C[C@H](N(CC1)C([C@H](C)OC1=C2C=CC(=NC2=CC=C1)Cl)=O)C>CC#N.ClN1C(CCC1=O)=O>C(C1=CC=CC=C1)(=O)N1C[C@H](N(CC1)C([C@H](C)OC1=C2C=CC(=NC2=C(C=C1)Cl)Cl)=O)C | 3 |
NC1=CC=CC=C1.C(#N)C=1C=C(C=CC1OC1CCOCC1)C1=C2C(=NC=C1)NC(=C2)C(=O)O>N(C)(C)C=O.C1(=CC=NC=C1)N(C)C.ClCCl.C(C(=O)Cl)(=O)Cl.ClCCCl>FC(C(=O)O)(F)F.C(#N)C=1C=C(C=CC1OC1CCOCC1)C1=C2C(=NC=C1)NC(=C2)C(=O)NC2=CC=CC=C2 | 3 |
[CH2:1]([S:3]([N:6]1[CH2:9][C:8]([CH2:32][C:33]#[N:34])([N:10]2[CH:14]=[C:13]([C:15]3[C:16]4[CH:23]=[CH:22][N:21](COCC[Si](C)(C)C)[C:17]=4[N:18]=[CH:19][N:20]=3)[CH:12]=[N:11]2)[CH2:7]1)(=[O:5])=[O:4])[CH3:2].[F:35][C:36]([F:41])([F:40])[C:37]([OH:39])=[O:38]>C(Cl)Cl>[F:35][C:36]([F:41])([F:40])[C:37]([OH:39])=[O:38].[CH2:1]([S:3]([N:6]1[CH2:9][C:8]([CH2:32][C:33]#[N:34])([N:10]2[CH:14]=[C:13]([C:15]3[C:16]4[CH:23]=[CH:22][NH:21][C:17]=4[N:18]=[CH:19][N:20]=3)[CH:12]=[N:11]2)[CH2:7]1)(=[O:4])=[O:5])[CH3:2] | 1 |
CN1N=CC=C1B(O)O.BrC=1C=2N(N=C(C1)Cl)C(=NN2)C2=NN(C=C2)C2OCCCC2>O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>ClC=1C=C(C=2N(N1)C(=NN2)C2=NN(C=C2)C2OCCCC2)C=2N(N=CC2)C | 3 |
BrC1=CC(=CC(=C1)COCC)Br>>BrC=1C=C(C=O)C=C(C1)COCC | 5 |
[NH:1]1[CH2:5][CH2:4][CH2:3][CH2:2]1.[CH2:6]([O:13][N:14]1[C:19](=[O:20])[C:18]2[CH:21]=[C:22]([F:26])[C:23](Cl)=[N:24][C:17]=2[N:16]([C:27]2[CH:32]=[CH:31][C:30]([CH3:33])=[CH:29][CH:28]=2)[C:15]1=[O:34])[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1.C(N(CC)CC)C>C(#N)C>[CH2:6]([O:13][N:14]1[C:19](=[O:20])[C:18]2[CH:21]=[C:22]([F:26])[C:23]([N:1]3[CH2:5][CH2:4][CH2:3][CH2:2]3)=[N:24][C:17]=2[N:16]([C:27]2[CH:28]=[CH:29][C:30]([CH3:33])=[CH:31][CH:32]=2)[C:15]1=[O:34])[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1 | 1 |
[N+:1]([C:4]1[CH:5]=[CH:6][C:7]([CH:10]=O)=[N:8][CH:9]=1)([O-:3])=[O:2].[CH3:12][O:13][C@H:14]1[CH2:18][CH2:17][NH:16][CH2:15]1.C(O)(=O)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C([O-])(O)=O.[Na+]>ClCCl.O>[CH3:12][O:13][C@H:14]1[CH2:18][CH2:17][N:16]([CH2:10][C:7]2[CH:6]=[CH:5][C:4]([N+:1]([O-:3])=[O:2])=[CH:9][N:8]=2)[CH2:15]1 | 1 |
[Cr](Cl)([O-])(=O)=O.[NH+]1C=CC=CC=1.[CH2:12]([C:19]1[C:24]([CH:25]([OH:31])[CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])=[CH:23][CH:22]=[CH:21][C:20]=1[O:32][C:33]1[CH:38]=[CH:37][CH:36]=[C:35]([CH:39]([OH:45])[CH2:40][CH2:41][CH2:42][CH2:43][CH3:44])[C:34]=1[CH2:46][C:47]1[CH:52]=[CH:51][CH:50]=[CH:49][CH:48]=1)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1>C(Cl)Cl>[CH2:12]([C:19]1[C:24]([C:25](=[O:31])[CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])=[CH:23][CH:22]=[CH:21][C:20]=1[O:32][C:33]1[CH:38]=[CH:37][CH:36]=[C:35]([C:39](=[O:45])[CH2:40][CH2:41][CH2:42][CH2:43][CH3:44])[C:34]=1[CH2:46][C:47]1[CH:48]=[CH:49][CH:50]=[CH:51][CH:52]=1)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1 | 1 |
[C]=O.BrC1=CC=C(C=C1)C=1N(C2=CC=C(C=C2C1)C)C>>CN1C(=CC2=CC(=CC=C12)C)C1=CC=C(C(=O)OC)C=C1 | 5 |
[C:1]1([NH:7]N)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[C:9]1(=O)[CH2:14][CH2:13][C:12](=O)[CH2:11][CH2:10]1>>[CH:3]1[CH:4]=[CH:5][CH:6]=[C:1]2[NH:7][C:10]3[C:9](=[CH:14][C:13]4[NH:7][C:1]5[C:6]([C:12]=4[CH:11]=3)=[CH:5][CH:4]=[CH:3][CH:2]=5)[C:2]=12 | 1 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.ONC(=N)C1=NC=CN=C1NC1=CC=C(C=C1)C=1SC=CN1>C1CCCO1.C(C)(C)N(C(C)C)CC>S1C(=NC=C1)C1=CC=C(NC=2C(=NC=CN2)C2=NOC(N2)=O)C=C1 | 3 |
ClC=1C=C2C(=CC(=NC2=CC1)C(F)(F)F)N[C@@H]1C[C@@H](CCC1)NC(=O)C=1C=NN(C1)[C@H]1CN(CC1)C(=O)OC(C)(C)C>Cl.O1CCOCC1>ClC=1C=C2C(=CC(=NC2=CC1)C(F)(F)F)N[C@@H]1C[C@@H](CCC1)NC(=O)C=1C=NN(C1)[C@H]1CNCC1 | 3 |
[OH:1]S([O-])(=O)=O.[K+].[F:7][C:8]([F:26])([C:16]([F:25])([F:24])[C:17]([F:23])([F:22])[C:18]([F:21])([F:20])[F:19])[CH2:9][CH2:10][S:11]([CH2:13][C:14]#[N:15])=[O:12].S([O-])([O-])=O.[Na+].[Na+]>O.CO>[F:26][C:8]([F:7])([C:16]([F:24])([F:25])[C:17]([F:22])([F:23])[C:18]([F:19])([F:20])[F:21])[CH2:9][CH2:10][S:11]([CH2:13][C:14]#[N:15])(=[O:1])=[O:12] | 1 |
[CH2:1]([C:5]1[N:6]([CH2:12][C:13]2[CH:18]=[CH:17][C:16](C(O)=O)=[CH:15][CH:14]=2)[C:7]([CH:10]=O)=[CH:8][N:9]=1)[CH2:2][CH2:3][CH3:4].[CH2:22]([N:26]1[CH2:32][C:30](=[O:31])[NH:29][C:27]1=[O:28])[CH2:23][CH2:24][CH3:25].[C:33]([OH:36])(=[O:35])C>O.CO>[CH2:1]([C:5]1[N:6]([CH2:12][C:13]2[CH:14]=[CH:15][CH:16]=[CH:17][C:18]=2[C:33]([OH:36])=[O:35])[C:7]([CH:10]=[C:32]2[C:30](=[O:31])[NH:29][C:27](=[O:28])[N:26]2[CH2:22][CH2:23][CH2:24][CH3:25])=[CH:8][N:9]=1)[CH2:2][CH2:3][CH3:4] | 1 |
[F:1][C:2]([F:42])([F:41])[C:3]1[CH:4]=[C:5]([CH:34]=[C:35]([C:37]([F:40])([F:39])[F:38])[CH:36]=1)[CH2:6][C:7]1[C:12]([N:13]2[CH2:18][CH2:17][O:16][CH2:15][CH2:14]2)=[CH:11][N:10]=[C:9]([NH:19][C@@H:20]2[C:29]3[C:24](=[CH:25][CH:26]=[C:27]([O:30][CH3:31])[N:28]=3)[NH:23][C@H:22]([CH2:32][CH3:33])[CH2:21]2)[N:8]=1.[Cl:43][CH2:44][CH2:45][N:46]=[C:47]=[O:48].C(=O)([O-])O.[Na+]>C1(C)C=CC=CC=1>[Cl:43][CH2:44][CH2:45][NH:46][C:47]([N:23]1[C:24]2[C:29](=[N:28][C:27]([O:30][CH3:31])=[CH:26][CH:25]=2)[C@@H:20]([NH:19][C:9]2[N:8]=[C:7]([CH2:6][C:5]3[CH:4]=[C:3]([C:2]([F:1])([F:41])[F:42])[CH:36]=[C:35]([C:37]([F:38])([F:39])[F:40])[CH:34]=3)[C:12]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)=[CH:11][N:10]=2)[CH2:21][C@H:22]1[CH2:32][CH3:33])=[O:48] | 1 |
NC1=CC=C(C(=O)O)C=C1>O.S(O)(O)(=O)=O.N(=O)[O-].[Na+].[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])C1=CC=C(C(=O)O)C=C1 | 3 |
OCCC(C)=O.C1(=CC=CC=C1)S(=O)(=O)C(F)F>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[K+]>FC(C(CCO)(O)C)(S(=O)(=O)C1=CC=CC=C1)F | 3 |
[O:1]([C:8]1[CH:9]=[C:10]([CH:14]=[CH:15][CH:16]=1)[C:11]([NH2:13])=[O:12])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[O:17](C1C=C(C=CC=1)C(O)=O)[C:18]1[CH:23]=C[CH:21]=[CH:20][CH:19]=1>[OH-].[Na+]>[C:18]([C:19]1[O:12][C:11]([C:10]2[CH:14]=[CH:15][CH:16]=[C:8]([O:1][C:2]3[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=3)[CH:9]=2)=[N:13][C:20]=1[CH3:21])(=[O:17])[CH3:23] | 1 |
C(C(=C)C)(=O)OC(C(=C)C)=O.C(C1=CC(=CC(=C1O)C(C)(C)C)C)C1=CC(=CC(=C1O)C(C)(C)C)C.FC(CO)(S(=O)(=O)[O-])F.C(C)[NH+](CC)CC>>FC(COC(C(=C)C)=O)(S(=O)(=O)[O-])F.C(C)[NH+](CC)CC | 5 |
[C:1]([NH:4][CH2:5][C:6]1[O:7][C:8]([C:12](=O)[CH2:13]Cl)=[CH:9][C:10]=1[CH3:11])(=[O:3])[CH3:2].[NH2:16][C:17]([NH2:19])=[S:18]>C(O)C>[C:1]([NH:4][CH2:5][C:6]1[O:7][C:8]([C:12]2[N:16]=[C:17]([NH2:19])[S:18][CH:13]=2)=[CH:9][C:10]=1[CH3:11])(=[O:3])[CH3:2] | 1 |
Cl.Cl.N1(CCNCC1)C1=C(C=C(C=C1)N1C(O[C@H](C1)COC1=NOC=C1)=O)F.C1(=CC=CC=C1)C1OCC(CO1)C(=O)O>>C1(=CC=CC=C1)C1OCC(CO1)C(=O)N1CCN(CC1)C1=C(C=C(C=C1)N1C(O[C@H](C1)COC1=NOC=C1)=O)F | 5 |
C(C)O[C@@H]1CC(NC1)CO.ClC=1C=C(C=CC1)C(CF)NC=1OC2=C(N1)C=C(C=C2OC)C(=O)O>N(C)(C)C=O.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>ClC=1C=C(C=CC1)C(CF)NC=1OC2=C(N1)C=C(C=C2OC)C(=O)N2C(C[C@H](C2)OCC)CO | 3 |
C(C=C)C1(CCCCC1)CO[Si](CC)(CC)CC>>C(C)[Si](OCC1(CCCCC1)CCCO)(CC)CC | 5 |
C([Li])CCC.[CH3:6][C:7]1[N:8]=[CH:9][S:10][CH:11]=1.[N+:12]([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=1F)([O-])=O.Cl>C1COCC1.C(O)C.O.O1CCOCC1.[Pd]>[CH3:6][C:7]1[N:8]=[C:9]([C:16]2[CH:17]=[CH:18][CH:19]=[CH:20][C:15]=2[NH2:12])[S:10][CH:11]=1 | 2 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C@@H:8]2[O:13][CH2:12][CH2:11][N:10]([CH2:14][C:15]3[CH:20]=[CH:19][C:18]([C@H:21]([NH:23][S:24]([CH3:27])(=[O:26])=[O:25])[CH3:22])=[CH:17][CH:16]=3)[CH2:9]2)=[CH:4][CH:3]=1.[ClH:28]>C(O)(C)C>[ClH:28].[F:1][C:2]1[CH:7]=[CH:6][C:5]([C@@H:8]2[O:13][CH2:12][CH2:11][N:10]([CH2:14][C:15]3[CH:20]=[CH:19][C:18]([C@H:21]([NH:23][S:24]([CH3:27])(=[O:26])=[O:25])[CH3:22])=[CH:17][CH:16]=3)[CH2:9]2)=[CH:4][CH:3]=1 | 1 |
Cl[C:2]1[CH:7]=[CH:6][C:5]([S:8]([N:11]2[C:19]3[C:14](=[CH:15][C:16]([F:20])=[CH:17][CH:18]=3)[CH:13]=[CH:12]2)(=[O:10])=[O:9])=[CH:4][CH:3]=1.[NH:21]1[CH2:26][CH2:25][NH:24][CH2:23][CH2:22]1>CS(C)=O.O>[F:20][C:16]1[CH:15]=[C:14]2[C:19](=[CH:18][CH:17]=1)[N:11]([S:8]([C:5]1[CH:6]=[CH:7][C:2]([N:21]3[CH2:26][CH2:25][NH:24][CH2:23][CH2:22]3)=[CH:3][CH:4]=1)(=[O:10])=[O:9])[CH:12]=[CH:13]2 | 1 |
COCCO.CC=1N=C2N(C=CC=3[C@H]([C@]([C@H](NC23)C2=CC=CC=C2)(O)C)O)C1C>S(O)(O)(=O)=O.ClCCl>CC=1N=C2N(C=CC=3[C@@H]([C@]([C@H](NC23)C2=CC=CC=C2)(O)C)OCCOC)C1C | 3 |
C(C)N1N=CC=2C1=NC(=C(C2NC2CCOCC2)CNC(=O)C2=CC=C(C=C2)NC(OC(C)(C)C)=O)CC>Cl.O1CCOCC1>Cl.NC1=CC=C(C(=O)NCC=2C(=C3C(=NC2CC)N(N=C3)CC)NC3CCOCC3)C=C1 | 3 |
[CH2:1]([N:3]1[C:7](=[O:8])[NH:6][N:5]=[N:4]1)[CH3:2].[Br:9][CH2:10][CH2:11]Br.C1C=CC=CC=1>C(=O)([O-])[O-].[Ag+2].O>[Br:9][CH2:10][CH2:11][O:8][C:7]1[N:3]([CH2:1][CH3:2])[N:4]=[N:5][N:6]=1 | 1 |
[O:1]=[C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[CH:5][C:6]([O:12][C:13]([F:16])([F:15])[F:14])=[CH:7][CH:8]=2)[N:3]1[CH2:17][C:18]([OH:20])=O.[Br:21][C:22]1[C:23]([C:28]2[NH:32][N:31]=[CH:30][N:29]=2)=[C:24]([NH2:27])[S:25][CH:26]=1>>[Br:21][C:22]1[C:23]([C:28]2[NH:32][N:31]=[CH:30][N:29]=2)=[C:24]([NH:27][C:18](=[O:20])[CH2:17][N:3]2[C:4]3[C:9](=[CH:8][CH:7]=[C:6]([O:12][C:13]([F:16])([F:15])[F:14])[CH:5]=3)[CH:10]=[CH:11][C:2]2=[O:1])[S:25][CH:26]=1 | 1 |
C([O:3][C:4]([C:6]1[CH:7]=[N:8][N:9]([C:11]2[NH:20][C:19](=[O:21])[C:18]3[C:13](=[CH:14][C:15]([CH3:31])=[C:16]([O:22][C:23]4[C:28]([CH3:29])=[CH:27][CH:26]=[CH:25][C:24]=4[CH3:30])[CH:17]=3)[N:12]=2)[CH:10]=1)=[O:5])C.[OH-].[K+]>C1COCC1>[CH3:29][C:28]1[CH:27]=[CH:26][CH:25]=[C:24]([CH3:30])[C:23]=1[O:22][C:16]1[CH:17]=[C:18]2[C:13](=[CH:14][C:15]=1[CH3:31])[N:12]=[C:11]([N:9]1[CH:10]=[C:6]([C:4]([OH:5])=[O:3])[CH:7]=[N:8]1)[NH:20][C:19]2=[O:21] | 1 |
[I:1][C:2]([I:34])=[CH:3][C@@H:4]1[O:8][C:7]([CH3:10])([CH3:9])[O:6][C@@H:5]1[CH:11]([OH:33])[CH2:12][O:13][C:14]([C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.[Cr](O[Cr]([O-])(=O)=O)([O-])(=O)=O.[NH+]1C=CC=CC=1.[NH+]1C=CC=CC=1>ClCCl>[I:34][C:2]([I:1])=[CH:3][C@@H:4]1[O:8][C:7]([CH3:10])([CH3:9])[O:6][C@@H:5]1[C:11](=[O:33])[CH2:12][O:13][C:14]([C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1 | 1 |
C[Si]([N-][Si](C)(C)C)(C)C.[K+].Cl[C:12]1[C:21]2[C:16](=[CH:17][C:18]([O:24][CH3:25])=[C:19]([O:22][CH3:23])[CH:20]=2)[N:15]=[CH:14][N:13]=1.[CH3:26][N:27]1[C:35]2[C:30](=[CH:31][CH:32]=[CH:33][CH:34]=2)[CH2:29][C:28]1=[O:36]>C1(C)C=CC=CC=1.C1COCC1>[CH3:23][O:22][C:19]1[CH:20]=[C:21]2[C:16](=[CH:17][C:18]=1[O:24][CH3:25])[N:15]=[CH:14][N:13]=[C:12]2[CH:29]1[C:30]2[C:35](=[CH:34][CH:33]=[CH:32][CH:31]=2)[N:27]([CH3:26])[C:28]1=[O:36] | 1 |
C(=O)OCC.N(C1=CC=CC=C1)C1=NC=2[C@@]3([C@@H](CCC2C(=N1)C=1C=NC=NC1)[C@@H](C(CC3)=O)C)C3=CC=CC=C3>C1CCCO1.CO[H].C[O-].[Na+].[H-].[K+]>N(C1=CC=CC=C1)C1=NC=2[C@@]3([C@@H](CCC2C(=N1)C=1C=NC=NC1)[C@@H](C(\C(\C3)=C/O)=O)C)C3=CC=CC=C3 | 3 |
Cl[C:2]1[CH:11]=[C:10]2[C:5]([CH:6]=[C:7]([C:14]3[CH:15]=[C:16]([NH:21][C:22](=[O:33])[C:23]4[CH:28]=[CH:27][CH:26]=[C:25]([C:29]([F:32])([F:31])[F:30])[CH:24]=4)[CH:17]=[CH:18][C:19]=3[CH3:20])[C:8](=[O:13])[N:9]2[CH3:12])=[CH:4][N:3]=1.[CH2:34]([NH2:41])[C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1.[Cl-].C(C1C=CC=C(CCC)C=1[N+]1C=CN(C2C(CCC)=CC=CC=2CCC)C=1)CC>O1CCOCC1>[CH2:34]([NH:41][C:2]1[CH:11]=[C:10]2[C:5]([CH:6]=[C:7]([C:14]3[CH:15]=[C:16]([NH:21][C:22](=[O:33])[C:23]4[CH:28]=[CH:27][CH:26]=[C:25]([C:29]([F:31])([F:30])[F:32])[CH:24]=4)[CH:17]=[CH:18][C:19]=3[CH3:20])[C:8](=[O:13])[N:9]2[CH3:12])=[CH:4][N:3]=1)[C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1 | 2 |
[O:1]1[CH2:6][CH2:5][N:4]([C:7]2[CH:8]=[C:9]([N:13]3[C:17]([C:18]4[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=4)=[C:16]([C:24](O)=[O:25])[N:15]=[CH:14]3)[CH:10]=[CH:11][CH:12]=2)[CH2:3][CH2:2]1.[OH:27][CH:28]([C:30]1[CH:50]=[CH:49][C:33]([O:34][CH2:35][C@H:36]2[NH:41][CH2:40][CH2:39][N:38]([C:42]([O:44][C:45]([CH3:48])([CH3:47])[CH3:46])=[O:43])[CH2:37]2)=[CH:32][CH:31]=1)[CH3:29].CCN=C=NCCCN(C)C.Cl.C1C=CC2N(O)N=NC=2C=1.C(=O)(O)[O-].[Na+]>CN(C=O)C>[OH:27][CH:28]([C:30]1[CH:31]=[CH:32][C:33]([O:34][CH2:35][C@H:36]2[N:41]([C:24]([C:16]3[N:15]=[CH:14][N:13]([C:9]4[CH:10]=[CH:11][CH:12]=[C:7]([N:4]5[CH2:5][CH2:6][O:1][CH2:2][CH2:3]5)[CH:8]=4)[C:17]=3[C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)=[O:25])[CH2:40][CH2:39][N:38]([C:42]([O:44][C:45]([CH3:46])([CH3:48])[CH3:47])=[O:43])[CH2:37]2)=[CH:49][CH:50]=1)[CH3:29] | 2 |
[Br:1]Br.[C:3]([C:7]1[CH:12]=[CH:11][N:10]=[CH:9][CH:8]=1)(=[O:6])[CH2:4][CH3:5]>Br.CC(O)=O.CCOCC>[BrH:1].[Br:1][CH:4]([CH3:5])[C:3]([C:7]1[CH:12]=[CH:11][N:10]=[CH:9][CH:8]=1)=[O:6] | 2 |
[F:1][C:2]([F:22])([F:21])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[C:9]1[NH:13][C:12]2[CH:14]=[CH:15][CH:16]=[C:17]([C:18](O)=[O:19])[C:11]=2[N:10]=1.[CH3:23][C:24]1([CH3:38])[O:28][C@H:27]([CH2:29][O:30][C:31]2[CH:32]=[C:33]([CH:35]=[CH:36][CH:37]=2)[NH2:34])[CH2:26][O:25]1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C>CN1C(=O)CCC1.O>[CH3:23][C:24]1([CH3:38])[O:28][C@H:27]([CH2:29][O:30][C:31]2[CH:32]=[C:33]([NH:34][C:18]([C:17]3[C:11]4[N:10]=[C:9]([C:4]5[CH:5]=[CH:6][CH:7]=[CH:8][C:3]=5[C:2]([F:1])([F:21])[F:22])[NH:13][C:12]=4[CH:14]=[CH:15][CH:16]=3)=[O:19])[CH:35]=[CH:36][CH:37]=2)[CH2:26][O:25]1 | 1 |
C(C)(C)N1C(=NN=C1)C1=CC=CC(=N1)N1CC2=CC=C(C=C2C1=O)C1=CC=C(C=C1)C(C(=O)OC)(C)C>O.C1CCCO1.O[Li].O>C(C)(C)N1C(=NN=C1)C1=CC=CC(=N1)N1CC2=CC=C(C=C2C1=O)C1=CC=C(C=C1)C(C(=O)O)(C)C | 3 |
[OH:1]O.C([C:5]1[C:14](=O)[C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[NH:7][C:6]=1CCCCCCC)=O>CCO.[OH-].[Na+]>[NH:7]1[C:8]2[C:13](=[CH:12][CH:11]=[CH:10][CH:9]=2)[CH:14]=[CH:5][C:6]1=[O:1] | 1 |
C(CCCC)(=O)N([C@@H](C(C)C)C(=O)OCC1=CC=CC=C1)CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>>C(CCCC)(=O)N([C@@H](C(C)C)C(=O)O)CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 | 5 |
ClC1=NC(=CN=C1)Cl.C(C)(C)(C)OC(NC1CCC(CC1)N)=O.C(C)(C)N(C)C(C)C>>ClC1=CN=CC(=N1)N[C@@H](C)C1=CC=CC=C1 | 5 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]2[C:12]3[N:13]([CH2:19][CH2:20][O:21][CH3:22])[N:14]=[C:15]([CH:16]4[CH2:18][CH2:17]4)[C:11]=3[C:10](=[O:23])[NH:9]2)=[CH:4][CH:3]=1.[F:24][CH2:25][C:26]1[N:30]2[CH:31]=[C:32](N)[CH:33]=[C:34]([CH3:35])[C:29]2=[N:28][N:27]=1>>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]2[C:12]3[N:13]([CH2:19][CH2:20][O:21][CH3:22])[N:14]=[C:15]([CH:16]4[CH2:17][CH2:18]4)[C:11]=3[C:10](=[O:23])[N:9]2[C:32]2[CH:33]=[C:34]([CH3:35])[C:29]3[N:30]([C:26]([CH2:25][F:24])=[N:27][N:28]=3)[CH:31]=2)=[CH:4][CH:3]=1 | 2 |
[CH2:1]([N:5]1[C:10](=[O:11])[CH2:9][N:8]([C:12]([O:14][CH2:15]Cl)=[O:13])[C:7]([C:17]2[CH:22]=[C:21]([Cl:23])[CH:20]=[C:19]([Cl:24])[CH:18]=2)=[N:6]1)[CH2:2][CH2:3][CH3:4].[I-:25].[Na+]>CC(C)=O>[CH2:1]([N:5]1[C:10](=[O:11])[CH2:9][N:8]([C:12]([O:14][CH2:15][I:25])=[O:13])[C:7]([C:17]2[CH:22]=[C:21]([Cl:23])[CH:20]=[C:19]([Cl:24])[CH:18]=2)=[N:6]1)[CH2:2][CH2:3][CH3:4] | 1 |
C1(=CC=CC=C1)C(=O)CC1=CC=CC=C1>C(Cl)(Cl)(Cl)[H].BrBr>C1(=CC=CC=C1)C(=O)C(C1=CC=CC=C1)Br | 3 |
C(C)(C)(C)OC(CN)=O.FC=1C=C2C(N(C(C2=CC1)=O)C1C(N(C(CC1)=O)C)=O)=O>O.[F-].[K+].CS(=O)C>C(C)(C)(C)N(CC(=O)[O-])C=1C=C2C(N(C(C2=CC1)=O)C1C(N(C(CC1)=O)C)=O)=O | 4 |
[CH2:1]([O:8][C:9]([NH:11][CH2:12][C:13]([OH:15])=[O:14])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(N(CC)CC)C.[CH2:23](OC(ON=C(C#N)C(OCC)=O)=O)[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1>O1CCOCC1>[CH2:23]([O:14][C:13](=[O:15])[CH2:12][NH:11][C:9]([O:8][CH2:1][C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1)=[O:10])[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1 | 1 |
C(C1=CC=CC=C1)O[C@H]1[C@@H]([C@H](C[C@H]2[C@@H]1N=C(O2)NCC)CF)OCC2=CC=CC=C2>>C(C)NC=1O[C@@H]2[C@H](N1)[C@H]([C@@H]([C@H](C2)CF)O)O | 5 |
C[Si](C)(C)[C:3]([F:6])([F:5])[F:4].[CH:9]([C:11]1[CH:12]=[C:13]([CH2:17][C:18]([O:20][CH2:21][CH3:22])=[O:19])[CH:14]=[CH:15][CH:16]=1)=[O:10].[F-].[Cs+].CCCC[N+](CCCC)(CCCC)CCCC.[F-]>CN(C=O)C.C1COCC1.O>[F:4][C:3]([F:6])([F:5])[CH:9]([C:11]1[CH:12]=[C:13]([CH2:17][C:18]([O:20][CH2:21][CH3:22])=[O:19])[CH:14]=[CH:15][CH:16]=1)[OH:10] | 1 |
C(C1=CC=CC=C1)OCN1C(N(C(C1=O)C)C1=CC(=C(C=C1)C(=O)N1CCN(CC1)C1=NC=C(C=C1C)C1CC1)F)=O>CO[H].[Pd].C(=O)O>C1(CC1)C=1C=C(C(=NC1)N1CCN(CC1)C(=O)C1=C(C=C(C=C1)N1C(NC(C1C)=O)=O)F)C | 3 |
[F:1][C:2]([F:13])([F:12])[C:3]1[CH:8]=[CH:7][C:6](B(O)O)=[CH:5][CH:4]=1.I[CH:15]1[C:20](OC)([O:21]C)[CH2:19][CH2:18][O:17][CH2:16]1>>[F:1][C:2]([F:13])([F:12])[C:3]1[CH:8]=[CH:7][C:6]([CH:15]2[C:20](=[O:21])[CH2:19][CH2:18][O:17][CH2:16]2)=[CH:5][CH:4]=1 | 1 |
ClC1=NC2=CC=CC=C2C=C1C=O>CC#N.Cl.[I-].[Na+]>IC1=NC2=CC=CC=C2C=C1C=O | 3 |
F[C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9](=[O:16])[C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)=[CH:4][C:3]=1[N+:17]([O-:19])=[O:18].[Na].[CH3:21][OH:22]>ClCCl.CO>[N+:17]([C:3]1[CH:4]=[C:5]([NH:8][C:9](=[O:16])[C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)[CH:6]=[CH:7][C:2]=1[O:22][CH3:21])([O-:19])=[O:18] | 1 |
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