smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[Mg].[CH:2](Cl)([CH3:4])[CH3:3].II.[CH3:8][CH:9]([CH2:13][CH:14]([CH3:16])[CH3:15])[CH2:10][CH:11]=[O:12]>CCOCC>[CH3:3][CH:2]([CH:11]([OH:12])[CH2:10][CH:9]([CH3:8])[CH2:13][CH:14]([CH3:16])[CH3:15])[CH3:4] | 1 |
[CH3:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][C:6](=[O:11])[C:5]2=[O:12].[H-].[Na+].[C:15](OC(=O)C)(=[O:17])[CH3:16].C(=O)(O)[O-].[Na+]>C1(C)C=CC=CC=1>[C:15]([N:7]1[C:8]2[C:4](=[CH:3][C:2]([CH3:1])=[CH:10][CH:9]=2)[C:5](=[O:12])[C:6]1=[O:11])(=[O:17])[CH3:16] | 1 |
BrC1=CC=C(C=C1)[C@@H]1[C@@H]2CN(CCC(CN2[C@@H]1COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O)C(=O)NC1=CC=C(C=C1)OC>CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+].CNC>BrC1=CC=C(C=C1)[C@@H]1[C@@H]2CN(CCC(CN2[C@@H]1COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)N(C)C)C(=O)NC1=CC=C(C=C1)OC | 3 |
Cl.[F:2][C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10]2[C:15]([NH:16][NH2:17])=[N:14][C:13]3=[N:18][O:19][N:20]=[C:12]3[N:11]=2)=[CH:5][CH:4]=1.[O:21]1[CH:25]=[CH:24][CH:23]=[C:22]1[CH:26]=O>>[F:2][C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10]2[C:15]([NH:16][N:17]=[CH:26][C:22]3[O:21][CH:25]=[CH:24][CH:23]=3)=[N:14][C:13]3=[N:18][O:19][N:20]=[C:12]3[N:11]=2)=[CH:5][CH:4]=1 | 2 |
C([O-])([O-])=O.[Cs+].[Cs+].[CH3:7][C:8]1([CH3:15])[CH2:13][O:12]S(=O)[O:10][CH2:9]1.[Br:16][C:17]1[C:22]([CH3:23])=[CH:21][C:20](O)=[CH:19][C:18]=1[CH3:25]>CN(C)C=O>[Br:16][C:17]1[C:22]([CH3:23])=[CH:21][C:20]([O:10][CH2:9][C:8]([CH3:15])([CH3:7])[CH2:13][OH:12])=[CH:19][C:18]=1[CH3:25] | 1 |
ClC1=NC=NC(=C1OC1CN(CCC1)C(=O)OC(C)(C)C)NN>C(Cl)(Cl)(Cl)[H].[O-2].[O-2].[Mn+4]>ClC1=NC=NC=C1OC1CN(CCC1)C(=O)OC(C)(C)C | 3 |
C1(=CC=CC=C1)/C=C/B(O)O.C(C)(C)(C)OC(=O)C1=C(NC2=C3C=C(N=CC3=CC=C21)Cl)CNC(=O)OC(C)(C)C>>C(C)(C)(C)OC(=O)C1=C(NC2=C3C=C(N=CC3=CC=C21)\C=C\C2=CC=CC=C2)CNC(=O)OC(C)(C)C | 5 |
Cl[Si](C)(C)C.BrCC(=O)OC(C)(C)C.ClC1=CC=CC=2N1N=CN2>C1CCCO1.[Zn].C(C1=CC=CC=C1)=CC(=O)C=CC1=CC=CC=C1.C(C1=CC=CC=C1)=CC(=O)C=CC1=CC=CC=C1.[Pd].C1(=CC=CC=C1)[C-]1C(=C(C(=C1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1.C(C)(C)(C)P([C-]1C=CC=C1)C(C)(C)C.[Fe+2]>N=1C=NN2C1C=CC=C2CC(=O)OC(C)(C)C | 3 |
[Na].[C:2]([C:4]1[C:9](=[O:10])[NH:8][C:7]([CH3:11])=[C:6]([C:12]([O:14][CH2:15][CH3:16])=[O:13])[CH:5]=1)#[N:3].Cl[CH2:18][O:19][CH2:20][CH2:21][Si:22]([CH3:25])([CH3:24])[CH3:23].CCN(C(C)C)C(C)C>C(Cl)Cl>[C:2]([C:4]1[C:9](=[O:10])[N:8]([CH2:18][O:19][CH2:20][CH2:21][Si:22]([CH3:25])([CH3:24])[CH3:23])[C:7]([CH3:11])=[C:6]([C:12]([O:14][CH2:15][CH3:16])=[O:13])[CH:5]=1)#[N:3] | 2 |
BrCC(=O)NC1=NC(=NC(=C1)Cl)C1=CC=CC=C1.C1(=CC=CC=C1)/C=C/CN1CCNCC1>>ClC1=CC(=NC(=N1)C1=CC=CC=C1)NC(CN1CCN(CC1)C\C=C\C1=CC=CC=C1)=O | 5 |
ClC1=NC=NC(=C1)C(F)(F)F.FC(C1=CC=2C(=NC=C(C2)CN)N1)(F)F>CC#N.CS(=O)C.C(C)(C)N(C(C)C)CC.CN1C(CCC1)=O>FC(C1=CC(=NC=N1)NCC=1C=C2C(=NC1)NC(=C2)C(F)(F)F)(F)F | 3 |
FC1=C(C=C(C=C1)S(=O)(=O)NC=1C=C2C(=CN(C2=CC1)C)C1CCN(CC1)C(=O)OC(C)(C)C)OC>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>FC1=C(C=C(C=C1)S(=O)(=O)NC=1C=C2C(=CN(C2=CC1)C)C1CCNCC1)OC | 3 |
[CH2:1]([O:8][CH2:9][CH:10]([CH3:23])[CH2:11][CH2:12][CH2:13][C:14]([CH3:22])=[CH:15][CH2:16][CH2:17][C:18](=[O:21])[CH2:19][Br:20])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.ClC1C=CC=C(C(OO)=[O:32])C=1>C(Cl)Cl>[CH2:1]([O:8][CH2:9][CH:10]([CH3:23])[CH2:11][CH2:12][CH2:13][C:14]1([CH3:22])[O:32][CH:15]1[CH2:16][CH2:17][C:18](=[O:21])[CH2:19][Br:20])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
Cl.CNOC.CN1N=CC(=C1)N1N=C(C(C=C1)=O)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>CON(C(=O)C1=NN(C=CC1=O)C=1C=NN(C1)C)C | 3 |
CI.C1(CCCC1)NC1=CC=2N(C=C1)N=C(C2C2=NC(=NC=C2)NC2CCCC2)C2=CC=C(C=C2)F>C1CCCO1.C(CCC)[Li]>C1(CCCC1)NC1=CC=2N(C(=C1)C)N=C(C2C2=NC(=NC=C2)NC2CCCC2)C2=CC=C(C=C2)F | 3 |
[Cl-].COC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.ClC1=C(C=C2C=C(N(C2=C1)C)C=O)C#N>>ClC1=C(C=C2C=C(N(C2=C1)C)C=COC)C#N | 5 |
[CH2:1]([O:3][C:4]1([C:7]2[CH:23]=[CH:22][C:10]([O:11][Si](C(C)C)(C(C)C)C(C)C)=[CH:9][C:8]=2[C:24]([CH3:27])([CH3:26])[CH3:25])[CH2:6][CH2:5]1)[CH3:2].[F-].C([N+](CCCC)(CCCC)CCCC)CCC>C1COCC1>[CH2:1]([O:3][C:4]1([C:7]2[CH:23]=[CH:22][C:10]([OH:11])=[CH:9][C:8]=2[C:24]([CH3:25])([CH3:27])[CH3:26])[CH2:6][CH2:5]1)[CH3:2] | 1 |
FC=1C=C(CNC=2C(=NC=C(C2)I)N)C=CC1>O.C1CCCO1.C(=S)(N1C=NC=C1)N1C=NC=C1>FC=1C=C(CN2C(NC3=NC=C(C=C32)I)=S)C=CC1 | 3 |
[N+:1]([C:4]1[CH:27]=[CH:26][C:7]([CH2:8][O:9][C:10]([N:12]2[CH:16]=[C:15]([CH:17]=[O:18])[N:14]=[C:13]2[CH2:19][C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)=[O:11])=[CH:6][CH:5]=1)([O-:3])=[O:2].[Mg+2].[Br-].[Br-].[N+:31]([C:34]1[CH:52]=[CH:51][C:37]([CH2:38][O:39][C:40]([C:42]2[N:43]3[C@H:46]([S:47][CH:48]=2)[C@@H:45]([Br:49])[C:44]3=[O:50])=[O:41])=[CH:36][CH:35]=1)([O-:33])=[O:32].[C:53](OC(=O)C)(=[O:55])[CH3:54]>C(#N)C.CN(C)C1C=CN=CC=1.C(OCC)(=O)C.C(N(CC)CC)C.C1COCC1>[N+:31]([C:34]1[CH:52]=[CH:51][C:37]([CH2:38][O:39][C:40]([C:42]2[N:43]3[C@H:46]([S:47][CH:48]=2)[C:45]([CH:17]([O:18][C:53](=[O:55])[CH3:54])[C:15]2[N:14]=[C:13]([CH2:19][C:20]4[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=4)[N:12]([C:10]([O:9][CH2:8][C:7]4[CH:6]=[CH:5][C:4]([N+:1]([O-:3])=[O:2])=[CH:27][CH:26]=4)=[O:11])[CH:16]=2)([Br:49])[C:44]3=[O:50])=[O:41])=[CH:36][CH:35]=1)([O-:33])=[O:32] | 2 |
S1C2=C(C=C1C(=O)Cl)C=CC=C2.C(C)C1=CC=C(CN2CC3C(C3C2)CNC2=CC(=C(C=C2)N2CCOCC2)F)C=C1>C(C)(C)N(C(C)C)CC.ClCCCl>C(C)C1=CC=C(CN2CC3C(C3C2)CN(C(=O)C2=CC3=C(S2)C=CC=C3)C3=CC(=C(C=C3)N3CCOCC3)F)C=C1 | 3 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:12][CH3:13])=[CH:9][CH:10]=2)[N:5]=[CH:4][C:3]=1[C:14]#[N:15].Cl.N1C=CC=CC=1.[NH2:23][C:24]1[CH:32]=[C:31]2[C:27]([CH:28]=[N:29][NH:30]2)=[CH:26][CH:25]=1>C(OCCO)C>[NH:30]1[C:31]2[C:27](=[CH:26][CH:25]=[C:24]([NH:23][C:2]3[C:11]4[C:6](=[CH:7][C:8]([O:12][CH3:13])=[CH:9][CH:10]=4)[N:5]=[CH:4][C:3]=3[C:14]#[N:15])[CH:32]=2)[CH:28]=[N:29]1 | 1 |
C(C)(=O)NC1=CC=C(C=C1)C1=NC(=NC(=C1C#N)N)SCC1=CC=CC(=N1)CCC(=O)O>CC#N.Cl.OC(=O)CC(O)(CC(O)=O)C(O)=O>NC1=NC(=NC(=C1C#N)C1=CC=C(C=C1)N)SCC1=CC=CC(=N1)CCC(=O)O | 3 |
CO[C:3](=[O:29])[C:4]1[CH:9]=[CH:8][C:7]([C:10]([N:12]2[CH2:17][CH2:16][N:15]([C:18]3[C:23]([NH:24][CH2:25][CH:26]([CH3:28])[CH3:27])=[CH:22][CH:21]=[CH:20][N:19]=3)[CH2:14][CH2:13]2)=[O:11])=[N:6][CH:5]=1.[CH3:30][O:31][CH2:32][CH2:33][CH2:34][NH2:35]>>[CH2:25]([NH:24][C:23]1[C:18]([N:15]2[CH2:16][CH2:17][N:12]([C:10]([C:7]3[CH:8]=[CH:9][C:4]([C:3](=[O:29])[NH:35][CH2:34][CH2:33][CH2:32][O:31][CH3:30])=[CH:5][N:6]=3)=[O:11])[CH2:13][CH2:14]2)=[N:19][CH:20]=[CH:21][CH:22]=1)[CH:26]([CH3:27])[CH3:28] | 1 |
C(OCC)(OCC)(OCC)C.NC1=C(C=CC(=C1)F)O.[O-]S(=O)(=O)C(F)(F)F.[Bi+3].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F>>FC=1C=CC2=C(N=C(O2)C)C1 | 5 |
CI.CC1=C(NC(=C1)C)C=C1C(NC2=CC=CC=C12)=O>>CC1=C(NC(=C1)C)C=C1C(N(C2=CC=CC=C12)C)=O | 5 |
[CH3:1][CH:2]1[CH2:7][CH2:6][N:5]([C:8](=[O:19])[CH:9]([NH2:18])[CH2:10][CH2:11][C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH2:4][CH2:3]1.[Cl:20][C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=1[S:27](Cl)(=[O:29])=[O:28].CCN(C(C)C)C(C)C>C(Cl)Cl>[Cl:20][C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=1[S:27]([NH:18][CH:9]([C:8]([N:5]1[CH2:6][CH2:7][CH:2]([CH3:1])[CH2:3][CH2:4]1)=[O:19])[CH2:10][CH2:11][C:12]1[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=1)(=[O:29])=[O:28] | 1 |
N1C(=NC2=C1C=CC=C2)C(=O)C2CC(C2)N2C(=NC=1C2=NC=CC1)OC>>N1C(=NC2=C1C=CC=C2)C(O)C2CC(C2)N2C(=NC=1C2=NC=CC1)OC | 5 |
ClCCl.O[CH:5]([C:18]1[CH:26]=[C:25]2[C:21]([CH:22]=[CH:23][N:24]2[CH:27]([CH3:29])[CH3:28])=[CH:20][CH:19]=1)[C@@H:6]1[CH2:10][CH2:9][CH2:8][N:7]1[C:11](OC(C)(C)C)=O.CS(Cl)(=O)=O>CCN(CC)CC>[CH:27]([N:24]1[C:25]2[C:21](=[CH:20][CH:19]=[C:18]([CH2:5][C@@H:6]3[CH2:10][CH2:9][CH2:8][N:7]3[CH3:11])[CH:26]=2)[CH:22]=[CH:23]1)([CH3:28])[CH3:29] | 2 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[N:9]=[CH:8][CH:7]=[C:6]2[O:15][C:16]1[C:22]([CH3:23])=[CH:21][C:19]([NH2:20])=[C:18]([CH3:24])[CH:17]=1.Cl[C:26](Cl)([O:28][C:29](=[O:35])OC(Cl)(Cl)Cl)Cl.[CH3:37][N:38]1[CH2:43][CH2:42][N:41]([CH2:44][CH2:45]CO)[CH2:40][CH2:39]1.C(=O)(O)[O-].[Na+]>C(Cl)Cl.C(N(CC)CC)C.C1(C)C=CC=CC=1>[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[N:9]=[CH:8][CH:7]=[C:6]2[O:15][C:16]1[C:22]([CH3:23])=[CH:21][C:19]([NH:20][C:29](=[O:35])[O:28][CH2:26][CH2:45][CH2:44][N:41]2[CH2:42][CH2:43][N:38]([CH3:37])[CH2:39][CH2:40]2)=[C:18]([CH3:24])[CH:17]=1 | 1 |
BrC=1SC(=CC1)Br.CC#N.OF>O.C(Cl)(Cl)(Cl)[H]>BrC=1S(C(=CC1)Br)(=O)=O | 3 |
BrC1=C(C(=CC(=N1)N)C)C(F)(F)F.[Si](C)(C)(C(C)(C)C)OCC(C)N1CCOC=2C=3C1=NC=NC3C=C(C2Cl)B2OC(C(O2)(C)C)(C)C>CC#N.O.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].[F-].[K+]>[Si](C)(C)(C(C)(C)C)OCC(C)N1CCOC=2C=3C1=NC=NC3C=C(C2Cl)C2=C(C(=CC(=N2)N)C)C(F)(F)F | 3 |
CO[NH3+].[Cl-].Cl.CN(CCCN=C=N)C.FC1=CC(=C(C=C1F)C1=CC=C(C=C1)OCC1CN(CCC1)C(CC(=O)O)=O)OC>>FC1=CC(=C(C=C1F)C1=CC=C(C=C1)OCC1CN(CCC1)C(CC(=O)NOC)=O)OC | 5 |
OC=1C=C(C(=O)NN)C=C(C1O)O.N1=C(C=CC=C1)COC1=C(C2=CC=CC=C2C=C1)C=O>CO[H]>OC=1C=C(C(=O)NN=CC2=C(C=CC3=CC=CC=C23)OCC2=NC=CC=C2)C=C(C1O)O | 3 |
Cl.[CH2:2]([C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([CH2:10][CH3:11])[C:5]=1[NH:12][C:13]([C:15]1[C:19]2[CH2:20][CH2:21][C:22]3[CH:23]=[N:24][C:25]([NH:28][CH:29]4[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]4)=[N:26][C:27]=3[C:18]=2[N:17]([CH3:35])[N:16]=1)=[O:14])[CH3:3].CCN(C(C)C)C(C)C.[CH2:45](Br)[C:46]1[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=1>ClCCl>[CH2:45]([N:32]1[CH2:31][CH2:30][CH:29]([NH:28][C:25]2[N:24]=[CH:23][C:22]3[CH2:21][CH2:20][C:19]4[C:15]([C:13]([NH:12][C:5]5[C:4]([CH2:2][CH3:3])=[CH:9][CH:8]=[CH:7][C:6]=5[CH2:10][CH3:11])=[O:14])=[N:16][N:17]([CH3:35])[C:18]=4[C:27]=3[N:26]=2)[CH2:34][CH2:33]1)[C:46]1[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=1 | 1 |
Cl.[NH:2]1[C:7]2[N:8]=[CH:9][CH:10]=[CH:11][C:6]=2[C:5]2([CH2:16][CH2:15][NH:14][CH2:13][CH2:12]2)[O:4][C:3]1=[O:17].Cl[C:19]1[N:24]=[CH:23][N:22]=[C:21]([O:25][C:26]2[CH:27]=[C:28]([CH3:39])[C:29]3[N:33]=[C:32]([CH2:34][CH2:35][O:36][CH3:37])[NH:31][C:30]=3[CH:38]=2)[CH:20]=1.CCN(C(C)C)C(C)C.[OH-].[Na+]>CN(C=O)C>[CH3:37][O:36][CH2:35][CH2:34][C:32]1[NH:31][C:30]2[CH:38]=[C:26]([O:25][C:21]3[N:22]=[CH:23][N:24]=[C:19]([N:14]4[CH2:13][CH2:12][C:5]5([O:4][C:3](=[O:17])[NH:2][C:7]6[N:8]=[CH:9][CH:10]=[CH:11][C:6]5=6)[CH2:16][CH2:15]4)[CH:20]=3)[CH:27]=[C:28]([CH3:39])[C:29]=2[N:33]=1 | 1 |
C(C)(=O)OC.BrC1=CC=C2O[C@@H]3CC4(CC[C@H]3C(C2=C1)=NS(=O)C(C)(C)C)OCCO4>>BrC1=CC=C2OC3CC4(CCC3C(C2=C1)(NS(=O)C(C)(C)C)CC(=O)OC)OCCO4 | 5 |
C(C)(=O)OCC(CCN1C2=NC(=NC(=C2N=C1)SC1=CC=C(C=C1)C)N)COC(C)=O>[Al].[Ni].C(C)O.O>C(C)(=O)OCC(CCN1C2=NC(=NC=C2N=C1)N)COC(C)=O | 3 |
[F:1][C:2]1[CH:3]=[C:4]([CH:8]=[C:9]([F:11])[CH:10]=1)[C:5]([OH:7])=[O:6].[Li]C(C)(C)C.CN([CH:20]=[O:21])C>C1COCC1>[F:1][C:2]1[CH:3]=[C:4]([CH:8]=[C:9]([F:11])[C:10]=1[CH:20]=[O:21])[C:5]([OH:7])=[O:6] | 2 |
C[Mg]Cl.ClC=1C=2N(C=CN1)C(=NC2)C2CC(C2)=O>C1CCCO1>ClC=1C=2N(C=CN1)C(=NC2)C2CC(C2)(O)C | 3 |
C(C)(C)(C)OC(=O)N1[C@H](CCC1)C(=O)N1[C@@H](CN([C@H](C1)C)C1=NC=C(C(=N1)N[C@H](C)C1=C(C=C(C=C1)Cl)Cl)Cl)C>Cl.O1CCOCC1>ClC=1C(=NC(=NC1)N1C[C@H](N(C[C@@H]1C)C(=O)[C@@H]1NCCC1)C)N[C@H](C)C1=C(C=C(C=C1)Cl)Cl | 3 |
C(C)C1=NC2=CC=CC=C2N=C1>CCO[H].[In].[Cl-].[NH4+]>C(C)C1NC2=CC=CC=C2NC1 | 3 |
[OH:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[CH:5]=O.[NH:10]1[CH2:15][CH2:14][CH:13]([NH:16][C:17](=[O:23])[O:18][C:19]([CH3:22])([CH3:21])[CH3:20])[CH2:12][CH2:11]1.C(O)(=O)C.[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+]>ClCCl>[OH:1][C:2]1[CH:3]=[C:4]([CH2:5][N:10]2[CH2:11][CH2:12][CH:13]([NH:16][C:17](=[O:23])[O:18][C:19]([CH3:21])([CH3:20])[CH3:22])[CH2:14][CH2:15]2)[CH:7]=[CH:8][CH:9]=1 | 2 |
[Si](C)(C)(C(C)(C)C)OCCCNC(NC1=C(C(=O)OC)C=C(C=C1)C(F)(F)F)=O>CO[H].C[O-].[Na+]>[Si](C)(C)(C(C)(C)C)OCCCN1C(NC2=CC=C(C=C2C1=O)C(F)(F)F)=O | 3 |
FC1C=CC(S(C)(=O)=O)=CC=1N.[Cl:13][C:14]1[CH:19]=[CH:18][C:17]([S:20]([C:23]([F:26])([F:25])[F:24])(=[O:22])=[O:21])=[CH:16][C:15]=1[N+:27]([O-])=O>>[Cl:13][C:14]1[CH:19]=[CH:18][C:17]([S:20]([C:23]([F:25])([F:24])[F:26])(=[O:22])=[O:21])=[CH:16][C:15]=1[NH2:27] | 1 |
C(CC#N)#N.COC=1C=C(C=O)C=CC1.NC1=C(C=CC=C1N)O>>C(#N)C1=C(OC2=C(C(=CC=C2C1C1=CC(=CC=C1)OC)N)N)N | 5 |
[F:1][C:2]1[CH:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:5]=[C:4]([C@:12]([C:22]2[CH:27]=[CH:26][C:25]([F:28])=[CH:24][CH:23]=2)([N+:20]#[C-:21])[CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH:3]=1.[F:29][C:30]([F:35])([F:34])[CH2:31][CH:32]=[O:33].[C:36]([OH:39])(=[O:38])C.C[O-].[Na+]>C1COCC1.CO.[Cl-].[Zn+2].[Cl-]>[F:29][C:30]([F:35])([F:34])[CH2:31][C@H:32]([OH:33])[C:21]([NH:20][C@:12]([C:4]1[CH:5]=[C:6]([C:8]([F:10])([F:11])[F:9])[CH:7]=[C:2]([F:1])[CH:3]=1)([C:22]1[CH:27]=[CH:26][C:25]([F:28])=[CH:24][CH:23]=1)[CH2:13][C:14]1[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=1)=[O:38].[F:29][C:30]([F:35])([F:34])[CH2:31][C@@H:32]([OH:33])[C:36]([NH:20][C@:12]([C:4]1[CH:5]=[C:6]([C:8]([F:11])([F:9])[F:10])[CH:7]=[C:2]([F:1])[CH:3]=1)([C:22]1[CH:23]=[CH:24][C:25]([F:28])=[CH:26][CH:27]=1)[CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)=[O:39] | 1 |
ClC1=CC(=NC=C1)C1=CC=CC=C1.C(=C)(C)B1OC(C)(C)C(C)(C)O1>>C1(=CC=CC=C1)C1=NC=CC(=C1)C(=C)C | 5 |
C1(O)=C(C(O)=CC=C1)C=O.ClCC1=C(CCCC1)C1=CC=CC=C1>>OC1=C(C=O)C(=CC=C1)OCC1=C(CCCC1)C1=CC=CC=C1 | 5 |
BrCCCCCCBr.C(C)(C)(C)OC1=C(CNCC2=NC=CC=C2)C=CC=C1>C([O-])([O-])=O.[K+].[K+]>BrCCCCCCN(CC1=NC=CC=C1)CC1=C(C=CC=C1)OC(C)(C)C | 3 |
[OH:1][CH:2]1[NH:6][C:5](=O)[CH2:4][CH2:3]1.[CH3:8][CH:9]([SH:11])[CH3:10]>CCOCC>[CH:9]([S:11][CH:5]1[NH:6][C:2](=[O:1])[CH2:3][CH2:4]1)([CH3:10])[CH3:8] | 1 |
[CH2:1]([C@H:8]([CH2:19][C:20](=[O:22])[CH3:21])[C:9]([O:11]CC1C=CC=CC=1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H][H]>C(O)C.[Pd]>[CH2:1]([C@H:8]([CH2:19][C:20](=[O:22])[CH3:21])[C:9]([OH:11])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
COC1=CC=C(C=C1)N1CCN(CC1)C=1SC(=C(N1)C1=CC=CC=C1)C=O>CC(C)(C)[O-].[K+].CS(=O)C.COP(=O)(OC)CC(=O)OC>COC1=CC=C(C=C1)N1CCN(CC1)C=1SC(=C(N1)C1=CC=CC=C1)/C=C/C(=O)OC | 3 |
FC(F)(F)S(O[C:7]1[CH:15]=[C:14]2[C:10]([C:11]([C:26](=[O:37])[NH:27][CH2:28][C:29]3[CH:34]=[CH:33][C:32]([F:35])=[C:31]([F:36])[CH:30]=3)=[C:12]([CH:23]([CH3:25])[CH3:24])[N:13]2[CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][N:18]=2)=[CH:9][CH:8]=1)(=O)=O.[CH3:40][N:41]1[C:45](B(O)O)=[CH:44][CH:43]=[N:42]1.[Li+].[Cl-].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>[F:36][C:31]1[CH:30]=[C:29]([CH:34]=[CH:33][C:32]=1[F:35])[CH2:28][NH:27][C:26]([C:11]1[C:10]2[C:14](=[CH:15][C:7]([C:45]3[N:41]([CH3:40])[N:42]=[CH:43][CH:44]=3)=[CH:8][CH:9]=2)[N:13]([CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][N:18]=2)[C:12]=1[CH:23]([CH3:24])[CH3:25])=[O:37] | 1 |
C(C)(C)(C)NS(=O)(=O)C=1C=C(C=CC1)NC(=O)C1=NC=C(N=C1N1CCC2(CC2)CC1)NC(CO[Si](C(C)(C)C)(C)C)(CO[Si](C(C)(C)C)(C)C)C>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C)(C)(C)NS(=O)(=O)C=1C=C(C=CC1)NC(=O)C1=NC=C(N=C1N1CCC2(CC2)CC1)NC(CO)(CO)C | 3 |
ClC1=CC=C(CN2C(=C(C3=CC=C(C=C23)OC)C(C(=O)OC)=O)C)C=C1>CC#N.O.[OH-].[Na+]>ClC1=CC=C(CN2C(=C(C3=CC=C(C=C23)OC)C(C(=O)O)=O)C)C=C1 | 3 |
NC1=NC=CC=C1OCC1=CC=CC=C1.ClC(C(C)=O)CC=C>CCO[H]>C(C1=CC=CC=C1)OC=1C=2N(C=CC1)C(=C(N2)C)CC=C | 3 |
ClC1=CC=C(C=C1)NC(CCl)=O.COC1=CC=C(C=C1)C1CCNCC1>C1(=CC=CC=C1)C.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC>ClC1=CC=C(C=C1)NC(CN1CCC(CC1)C1=CC=C(C=C1)OC)=O | 3 |
[C:1]([O:5][C:6]([NH:8][CH2:9][CH:10]1[CH2:14][CH2:13][N:12]([CH2:15][CH2:16][NH2:17])[CH2:11]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C(N(CC)CC)C.[C:25](Cl)(=[O:27])[CH3:26]>C(Cl)Cl>[C:25]([NH:17][CH2:16][CH2:15][N:12]1[CH2:13][CH2:14][CH:10]([CH2:9][NH:8][C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:7])[CH2:11]1)(=[O:27])[CH3:26] | 1 |
[Li][CH2:2][CH2:3]CC.[C:6]([N:13]1[C@@H:18]([CH:19]=O)[CH2:17][CH2:16][CH2:15][C@@H:14]1[CH3:21])([O:8][C:9]([CH3:12])([CH3:11])[CH3:10])=[O:7].CCOC(C)=O.CCCCCC>[Br-].C([P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)C.C1COCC1.O>[C:6]([N:13]1[C@@H:18]([CH:19]=[CH:2][CH3:3])[CH2:17][CH2:16][CH2:15][C@@H:14]1[CH3:21])([O:8][C:9]([CH3:12])([CH3:11])[CH3:10])=[O:7] | 1 |
C(=C)B1OC(C)(C)C(C)(C)O1.ClC=1C(=C(C(=C(C1)C(C)=O)OC)I)C>O.ClCCl.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>ClC=1C(=C(C(=C(C1)C(C)=O)OC)C=C)C | 3 |
[CH2:1]([O:8][C@@H:9]1[C@H:14]2[NH:15]C(=O)[O:17][C@H:13]2[CH2:12][C@H:11]([CH2:19][F:20])[C@H:10]1[O:21][CH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1>C(O)C.O.[OH-].[Na+]>[NH2:15][C@@H:14]1[C@@H:9]([O:8][CH2:1][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[C@H:10]([O:21][CH2:22][C:23]2[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=2)[C@@H:11]([CH2:19][F:20])[CH2:12][C@@H:13]1[OH:17] | 1 |
S(=O)(=O)(O)O.NO.O=C(CC#N)C1(CC1)C(F)(F)F>>FC(C1(CC1)C1=NOC(=C1)N)(F)F | 5 |
[CH3:1][C:2]1([CH3:13])[CH2:7][CH:6]([C:8]([OH:10])=O)[CH2:5][C:4]([CH3:12])([CH3:11])[O:3]1.[NH:14]1[C:18]2[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=2[N:16]=[N:15]1.S(Cl)(Cl)=O>C(Cl)Cl>[N:14]1([C:8]([CH:6]2[CH2:5][C:4]([CH3:12])([CH3:11])[O:3][C:2]([CH3:1])([CH3:13])[CH2:7]2)=[O:10])[C:18]2[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=2[N:16]=[N:15]1 | 1 |
C=C/C1=C/[C@@H](O)C[C@@]1(C)O[Si](C)(C)C(C)(C)C>C1CCCO1>C=C/C1=C/[C@@H](O)C[C@@]1(C)O | 3 |
[OH:1][NH:2][C:3](=[O:9])[O:4][C:5]([CH3:8])([CH3:7])[CH3:6].O=C(Cl)[O:12][C:13](Cl)(Cl)Cl.N1C=CC=CC=1.[C:24]([N:27]1[CH2:32][CH2:31][NH:30][CH2:29][CH2:28]1)(=[O:26])[CH3:25].C(N(CC)CC)C>C1COCC1.C(Cl)Cl>[C:24]([N:27]1[CH2:32][CH2:31][N:30]([C:13]([O:1][NH:2][C:3]([O:4][C:5]([CH3:8])([CH3:7])[CH3:6])=[O:9])=[O:12])[CH2:29][CH2:28]1)(=[O:26])[CH3:25] | 1 |
BrC=1C=C2C(C(=CN(C2=CC1)CC1=CC=C(C=C1)OC)C(=O)OCC)=O>C1(=CC=CC=C1)C.N(C)(C)C=O.ClS(Cl)=O.CCCCCC>C(C)OC(=O)C=1C=NC2=CC=C(C=C2C1Cl)Br | 3 |
C(C)(C)(C)C=1N=C(C=2N(C1)C(NN2)=O)Cl.Cl.C1(=CC=C(C=C1)OCCN)C>>C(C)(C)(C)C=1N=C(C=2N(C1)C(NN2)=O)NCCOC2=CC=C(C=C2)C | 5 |
C(C1=CC=CC=C1)N=C=O.NC1=CC=C(CN2CCC(CC2)N2C(N(C[C@H]2C2=CC=CC=C2)C2CCOCC2)=O)C=C1>C(C)(C)O>C(C1=CC=CC=C1)NC(=O)NC1=CC=C(C=C1)CN1CCC(CC1)N1C(N(C[C@H]1C1=CC=CC=C1)C1CCOCC1)=O | 3 |
CC(C[C@@H](C(=O)O)N1C(C=C(C=C1)C)=O)C.NC(CC(=O)OC)C=1C=NC(=C(C1)C1=C(C=CC=C1)C)C>O.ClCCl.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>CC(CC(C(=O)NC(CC(=O)OC)C=1C=NC(=C(C1)C1=C(C=CC=C1)C)C)N1C(C=C(C=C1)C)=O)C | 3 |
[CH2:1]([O:3][C:4](=[O:17])[CH2:5][N:6]1[C:14]2[C:9](=[CH:10][C:11]([F:15])=[CH:12][CH:13]=2)[CH:8]=[C:7]1[CH3:16])[CH3:2].[C:18]1([S:24]([C:27]2[CH:28]=[C:29]([CH:32]=[CH:33][N:34]=2)C=O)(=[O:26])=[O:25])[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1.[Si](OS(C(F)(F)F)(=O)=O)(C)(C)[CH3:36].C([SiH](CC)CC)C>ClCCl>[CH2:1]([O:3][C:4](=[O:17])[CH2:5][N:6]1[C:14]2[C:9](=[CH:10][C:11]([F:15])=[CH:12][CH:13]=2)[C:8]([CH2:36][C:28]2[C:27]([S:24]([C:18]3[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=3)(=[O:25])=[O:26])=[N:34][CH:33]=[CH:32][CH:29]=2)=[C:7]1[CH3:16])[CH3:2] | 1 |
COC(N(CC1=C(C=CC(=C1)C(F)(F)F)C1=C(C=CC(=C1)C(C)C)OC)CC1=CC(=CC(=C1)C(F)(F)F)N)=O>>COC(N(CC1=C(C=CC(=C1)C(F)(F)F)C1=C(C=CC(=C1)C(C)C)OC)CC1=CC(=CC(=C1)C(F)(F)F)Cl)=O | 5 |
ClC(CC(=O)OCC)=O.IC=1C=CC(=C(C1)S(=O)(=O)N)N>>IC1=CC2=C(NC(=NS2(=O)=O)CC(=O)O)C=C1 | 5 |
[CH:1]1([N:7]([CH2:38][CH:39]([CH3:41])[CH3:40])[C:8]2[CH:13]=[CH:12][C:11]([C:14]3[C:15]([C:21]([O:23]C)=[O:22])=[CH:16][CH:17]=[C:18]([F:20])[CH:19]=3)=[CH:10][C:9]=2[NH:25][C:26]([NH:28][C:29]2[CH:34]=[C:33]([Br:35])[C:32]([CH3:36])=[C:31]([Br:37])[CH:30]=2)=[O:27])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.O1CCCC1.CO.O.[OH-].[Li+]>CC(OC)(C)C.O>[CH:1]1([N:7]([CH2:38][CH:39]([CH3:41])[CH3:40])[C:8]2[CH:13]=[CH:12][C:11]([C:14]3[C:15]([C:21]([OH:23])=[O:22])=[CH:16][CH:17]=[C:18]([F:20])[CH:19]=3)=[CH:10][C:9]=2[NH:25][C:26]([NH:28][C:29]2[CH:30]=[C:31]([Br:37])[C:32]([CH3:36])=[C:33]([Br:35])[CH:34]=2)=[O:27])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1 | 2 |
C([O:8][C:9](=[O:42])[CH2:10][C@@H:11]([N:22]1[CH:26]=[CH:25][C:24]([C:27]2[CH:32]=[CH:31][C:30]([C:33]3[CH:38]=[CH:37][C:36]([C:39](=[O:41])[NH2:40])=[CH:35][CH:34]=3)=[CH:29][CH:28]=2)=[CH:23]1)[C:12]([NH:14][C@@:15]([CH3:21])(O)[C:16]([CH3:19])([CH3:18])[CH3:17])=[O:13])C1C=CC=CC=1.C[OH:44]>CCOC(C)=O>[C:39]([C:36]1[CH:35]=[CH:34][C:33]([C:30]2[CH:31]=[CH:32][C:27]([C:24]3[CH:25]=[CH:26][N:22]([C@@H:11]([C:12]([NH:14][C@H:15]([CH2:21][OH:44])[C:16]([CH3:18])([CH3:17])[CH3:19])=[O:13])[CH2:10][C:9]([OH:8])=[O:42])[CH:23]=3)=[CH:28][CH:29]=2)=[CH:38][CH:37]=1)(=[O:41])[NH2:40] | 1 |
COC=1C=C(C=C(C1)[N+](=O)[O-])N1N=NN(C1=O)C>CO[H].ClCCl.[HH].[Pd]>NC=1C=C(C=C(C1)N1N=NN(C1=O)C)OC | 3 |
[F:1][C:2](=[C:10]([F:12])[F:11])[CH2:3][CH2:4][CH:5]([C:8]#[N:9])[C:6]#[N:7].[H-].[Na+].Br[CH2:16][C:17]1[CH:22]=[CH:21][C:20]([C:23]#[N:24])=[CH:19][CH:18]=1>CN(C)C=O>[C:23]([C:20]1[CH:21]=[CH:22][C:17]([CH2:16][C:5]([CH2:4][CH2:3][C:2]([F:1])=[C:10]([F:11])[F:12])([C:6]#[N:7])[C:8]#[N:9])=[CH:18][CH:19]=1)#[N:24] | 1 |
[CH3:1][C:2]1([CH3:16])[O:15][C:6]2=[C:7]([CH3:14])[N:8]=[CH:9][C:10]([CH2:11][CH2:12][NH2:13])=[C:5]2[CH2:4][O:3]1.[CH:17]([C:19]1[CH:26]=[CH:25][C:22]([C:23]#[N:24])=[CH:21][CH:20]=1)=O>>[CH3:1][C:2]1([CH3:16])[O:15][C:6]2=[C:7]([CH3:14])[N:8]=[CH:9][C:10]([CH2:11][CH2:12][NH:13][CH2:17][C:19]3[CH:26]=[CH:25][C:22]([C:23]#[N:24])=[CH:21][CH:20]=3)=[C:5]2[CH2:4][O:3]1 | 2 |
BrC=1C(=C(C=C(C1Cl)F)[N+](=O)[O-])Cl>>ClC1=C(C=C(C(=C1OC)Cl)F)[N+](=O)[O-] | 5 |
[CH2:1]([O:8][C:9](=[O:26])[CH:10]([CH3:25])[CH2:11][CH:12]1[CH2:17][CH2:16][N:15](C(OC(C)(C)C)=O)[CH2:14][CH2:13]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1>Cl.O1CCOCC1>[CH3:25][CH:10]([CH2:11][CH:12]1[CH2:17][CH2:16][NH:15][CH2:14][CH2:13]1)[C:9]([O:8][CH2:1][C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1)=[O:26] | 1 |
[CH2:1]([O:8][C:9]([NH:11][CH2:12][CH2:13][CH2:14][CH2:15][C:16](=[CH2:19])[CH:17]=[O:18])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:20][O:21][C:22](=[O:26])[CH2:23][N+:24]#[C-:25]>C1(C)C=CC=CC=1.[Cu-]=O>[CH3:20][O:21][C:22]([CH:23]1[CH:17]([C:16]([CH2:15][CH2:14][CH2:13][CH2:12][NH:11][C:9]([O:8][CH2:1][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)=[O:10])=[CH2:19])[O:18][CH:25]=[N:24]1)=[O:26] | 1 |
C(C=C)Br.NC1=CC=C(CCC(=O)NC(C(=O)OCC)C(=O)OCC)C=C1>N(C)(C)C=O.CCN(CC)CC>C(C=C)N(C1=CC=C(CCC(=O)NC(C(=O)OCC)C(=O)OCC)C=C1)CC=C.C(C=C)NC1=CC=C(CCC(=O)NC(C(=O)OCC)C(=O)OCC)C=C1 | 3 |
C(C)(C)(C)OC(=O)N1CC2=C(CC1)C1=C(O2)C=C(C=C1)S(=O)(=O)C1=CC(=CC=C1)OCC1=CC=CC=C1>>C1NCCC2=C1OC1=C2C=CC(=C1)S(=O)(=O)C=1C=C(C=CC1)O | 5 |
FC1=C(CSC2=NC(=CC(=N2)NS(=O)(=O)N2CCOCC2)O[C@H](C)[C@H]2OC(OC2)(C)C)C=CC=C1F>CO[H].C(=O)(C(F)(F)F)O>FC1=C(CSC2=NC(=CC(=N2)NS(=O)(=O)N2CCOCC2)O[C@@H]([C@H](CO)O)C)C=CC=C1F | 3 |
[CH3:1][CH:2]([CH2:6][CH2:7][CH:8]=[C:9]([CH3:11])[CH3:10])[CH2:3][CH:4]=O.[C:12](O)(=O)C.[CH:16]([NH2:18])=[NH:17]>C(O)CCC>[CH3:1][CH:2]([C:3]1[CH:12]=[N:17][CH:16]=[N:18][CH:4]=1)[CH2:6][CH2:7][CH:8]=[C:9]([CH3:11])[CH3:10] | 1 |
BrCC1CC1.BrC=1C=CC(=NC1)S>C1CCCO1.[H-].[Na+]>BrC=1C=CC(=NC1)SCC1CC1 | 3 |
[O:1]=[C:2]([CH2:8][CH2:9][CH2:10][CH3:11])[CH2:3][C:4]([O:6][CH3:7])=[O:5].[H-].[Na+].Br[CH2:15][C:16]1[C:21]([F:22])=[CH:20][C:19]([C:23]2[C:24]([C:29]#[N:30])=[CH:25][CH:26]=[CH:27][CH:28]=2)=[CH:18][C:17]=1[F:31]>O1CCCC1>[C:29]([C:24]1[CH:25]=[CH:26][CH:27]=[CH:28][C:23]=1[C:19]1[CH:18]=[C:17]([F:31])[C:16]([CH2:15][CH:3]([C:2](=[O:1])[CH2:8][CH2:9][CH2:10][CH3:11])[C:4]([O:6][CH3:7])=[O:5])=[C:21]([F:22])[CH:20]=1)#[N:30] | 1 |
O=C1NC2(CO1)CN(CCC2)C(=O)OCC2=CC=CC=C2>C(=O)(C(F)(F)F)O.[HH].[OH-].[Pd+2].[OH-]>N1C(OCC12CNCCC2)=O | 3 |
BrC1=C(C=C(C(=O)OC)C=C1)F>>BrC1=C(C=C(C(=O)NN)C=C1)F | 5 |
C(C(C)(C)C)(=O)OC(C(C)(C)C)=O.OCCN1CC(CCC1)N1CCC2=CN=CC3=CC=CC1=C23>>C(C(C)(C)C)(=O)OCCN1CC(CCC1)N1CCC2=CN=CC3=CC=CC1=C23 | 5 |
C(N(CC)CC)C.Cl.[CH3:9][S:10]([C:13]1[CH:32]=[CH:31][C:16]([CH2:17][O:18][C:19]2[CH:20]=[N:21][C:22]([N:25]3[CH2:30][CH2:29][NH:28][CH2:27][CH2:26]3)=[N:23][CH:24]=2)=[CH:15][CH:14]=1)(=[O:12])=[O:11].[C:33](=O)([O:41][CH:42]([CH3:47])[C:43]([F:46])([F:45])[F:44])[O:34]C1C=CC=CC=1.C(Cl)(Cl)Cl>C(Cl)Cl>[CH3:9][S:10]([C:13]1[CH:14]=[CH:15][C:16]([CH2:17][O:18][C:19]2[CH:20]=[N:21][C:22]([N:25]3[CH2:30][CH2:29][N:28]([C:33]([O:41][CH:42]([CH3:47])[C:43]([F:46])([F:45])[F:44])=[O:34])[CH2:27][CH2:26]3)=[N:23][CH:24]=2)=[CH:31][CH:32]=1)(=[O:12])=[O:11] | 2 |
CC=1C=C(C2=C(N=C(S2)NC2=C(C=C(C=C2C)C)C)C1)[N+](=O)[O-]>N(C)(C)C=O.O.O.[Sn](Cl)Cl>C1(=C(C(=CC(=C1)C)C)NC=1SC2=C(N1)C=C(C=C2N)C)C | 3 |
C(C1=CC=CC=C1)OC(=O)N(CCC1=CC=C(C(=O)O)C=C1)C>ClCCl.ClS(Cl)=O>ClC(=O)C1=CC=C(CCN(C(OCC2=CC=CC=C2)=O)C)C=C1 | 3 |
C(C)(C)C1=C(N(C=2C1=NC(=CC2)C2CC1(OCCO1)CC2)C(=O)OC(C)(C)C)B2OC(C(O2)(C)C)(C)C.BrC=1C=C(C=2N(C1)N=CN2)OC>O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>C(C)(C)C1=C(N(C=2C1=NC(=CC2)C2CC1(OCCO1)CC2)C(=O)OC(C)(C)C)C=2C=C(C=1N(C2)N=CN1)OC | 3 |
C(O[C:6](=[O:28])[NH:7][C@@H:8]([CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)[CH:9]([C:11](=[O:20])[NH:12][CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)[OH:10])(C)(C)C.FC(F)(F)C(O)=O.[CH3:36][CH:37]([CH3:57])[CH2:38][C@H:39]([NH:43][C:44](=[O:56])[C@@H:45]([NH:47][C:48]([C:50]1[N:51]([CH3:55])[N:52]=[CH:53][CH:54]=1)=[O:49])[CH3:46])C(O)=O.C(N(CC)C(C)C)(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>ClCCl.CN(C=O)C>[CH2:21]([C@H:8]([NH:7][C:6]([C@@H:39]([NH:43][C:44]([C@@H:45]([NH:47][C:48]([C:50]1[N:51]([CH3:55])[N:52]=[CH:53][CH:54]=1)=[O:49])[CH3:46])=[O:56])[CH2:38][CH:37]([CH3:57])[CH3:36])=[O:28])[CH:9]([C:11](=[O:20])[NH:12][CH2:13][C:14]1[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=1)[OH:10])[C:22]1[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=1 | 2 |
FC=1C=C(C=CC1)N1C(O[C@H](C1)CN1N=NC=C1)=O>>BrC1=C(C=C(C=C1)N1C(O[C@H](C1)CN1N=NC=C1)=O)F | 5 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH3:9])=[CH:4][C:3]=1[C:10]1[CH:15]=[CH:14][C:13]([C:16]([OH:18])=[O:17])=[CH:12][C:11]=1[N:19]1[CH2:24][CH2:23][CH2:22][CH2:21][C:20]1=O.O>C1COCC1>[F:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH3:9])=[CH:4][C:3]=1[C:10]1[CH:15]=[CH:14][C:13]([C:16]([OH:18])=[O:17])=[CH:12][C:11]=1[N:19]1[CH2:24][CH2:23][CH2:22][CH2:21][CH2:20]1 | 1 |
BrC(C(=O)Br)C.C(C)C1(C(N)C=CC=C1)C>C1(=CC=CC=C1)C.[OH-].[Na+]>BrC(C(=O)NC1=C(C=CC=C1C)CC)C | 3 |
C(#N)C=1C=C(C=CC1F)Br.C(C)(C)(C)OC(=O)N1CCN(CC1)C(C1=CC=C(C=C1)N)=O>CC(C)(C)[O-].[K+].ClCCl.CS(=O)C.[Cl-].[NH4+]>BrC1=CC(=C(C=C1)NC1=CC=C(C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C=C1)C#N | 3 |
Cl.[NH2:2][OH:3].C(=O)([O-])[O-].[Na+].[Na+].[CH2:10]([O:16][C:17]1[CH:22]=[CH:21][C:20]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][C:31](Cl)=[O:32])=[CH:19][CH:18]=1)[CH2:11][CH2:12][CH2:13][CH2:14][CH3:15].O>C(Cl)Cl>[CH2:10]([O:16][C:17]1[CH:22]=[CH:21][C:20]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][C:31]([NH:2][OH:3])=[O:32])=[CH:19][CH:18]=1)[CH2:11][CH2:12][CH2:13][CH2:14][CH3:15] | 1 |
[NH2:1][C:2]1[CH:23]=[CH:22][C:5]([O:6][C:7]2[CH:12]=[CH:11][N:10]=[C:9]([NH:13][C:14]([N:16]3[CH2:21][CH2:20][CH2:19][CH2:18][CH2:17]3)=[O:15])[CH:8]=2)=[CH:4][C:3]=1[Cl:24].C(N(CC)CC)C.[F:32][P-](F)(F)(F)(F)F.[N:39]1(O[P+](N(C)C)(N(C)C)N(C)C)[C:43]2[CH:44]=[CH:45][CH:46]=[CH:47][C:42]=2N=N1.C([O:61][CH2:62][CH3:63])C.CN(C)[CH:66]=[O:67]>CCCCCC>[Cl:24][C:3]1[CH:4]=[C:5]([O:6][C:7]2[CH:12]=[CH:11][N:10]=[C:9]([NH:13][C:14]([N:16]3[CH2:21][CH2:20][CH2:19][CH2:18][CH2:17]3)=[O:15])[CH:8]=2)[CH:22]=[CH:23][C:2]=1[NH:1][C:62](=[O:61])[CH2:63][C:66]([NH:39][C:43]1[CH:44]=[CH:45][C:46]([F:32])=[CH:47][CH:42]=1)=[O:67] | 1 |
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