smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
COC1=CC=C(CCl)C=C1.OC1=CC=C2C=CC(NC2=C1)=O>N(C)(C)C=O.[H-].[Na+]>COC1=CC=C(CN2C(C=CC3=CC=C(C=C23)OCC2=CC=C(C=C2)OC)=O)C=C1 | 3 |
C(C)OC(=C)[Sn](CCCC)(CCCC)CCCC.NC1=C(C=NN1C1=CC=C(C=C1)F)C(C1=CC(=CC=C1)Br)=O>N(C)(C)C=O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>NC1=C(C=NN1C1=CC=C(C=C1)F)C(C1=CC(=CC=C1)C(=C)OCC)=O | 3 |
[CH2:1]([OH:4])[CH2:2][OH:3].[H-].[Na+].Br[CH:8]([O:12][C:13]([C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1)([C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)[CH2:9][CH2:10][CH3:11]>CN(C=O)C>[C:13]([O:12][CH2:8][CH2:9][CH2:10][CH2:11][O:3][CH2:2][CH2:1][OH:4])([C:20]1[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=1)([C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1)[C:14]1[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=1 | 2 |
COC(C1=C(C=C(C=C1Cl)N)Cl)=O>>ClC1=C(C(=O)OC)C(=CC(=C1)I)Cl | 5 |
[H-].[H-].[H-].[H-].[Li+].[Al+3].C1COCC1.C(O[C:17](=O)[N:18]([CH2:38][C:39]1[CH:44]=[CH:43][CH:42]=[C:41]([O:45][C:46]2[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=2)[CH:40]=1)[CH2:19][CH2:20][C:21]1[C:29]2[C:24](=[CH:25][CH:26]=[C:27]([O:30][CH2:31][C:32]3[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=3)[CH:28]=2)[NH:23][CH:22]=1)(C)(C)C.[OH-].[Na+].C(O)(=O)C(O)=O>O.C1COCC1>[CH2:31]([O:30][C:27]1[CH:28]=[C:29]2[C:24](=[CH:25][CH:26]=1)[NH:23][CH:22]=[C:21]2[CH2:20][CH2:19][N:18]([CH2:38][C:39]1[CH:44]=[CH:43][CH:42]=[C:41]([O:45][C:46]2[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=2)[CH:40]=1)[CH3:17])[C:32]1[CH:33]=[CH:34][CH:35]=[CH:36][CH:37]=1 | 1 |
[OH:1][CH2:2][CH:3]1[CH2:8][CH2:7][CH2:6][N:5]([C:9]([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10])[CH2:4]1.CCN(CC)CC.[CH3:23][S:24](Cl)(=[O:26])=[O:25]>C(Cl)Cl>[CH3:23][S:24]([O:1][CH2:2][CH:3]1[CH2:8][CH2:7][CH2:6][N:5]([C:9]([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10])[CH2:4]1)(=[O:26])=[O:25] | 1 |
[CH2:1]([O:3][CH2:4][CH2:5][O:6][C:7]1[CH:12]=[C:11]([CH3:13])[C:10]([C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([CH:20]=[O:21])[CH:15]=2)=[C:9]([CH3:22])[CH:8]=1)[CH3:2].[BH4-].[Na+].[Cl-].[NH4+]>COCCOC.O1CCCC1>[CH2:1]([O:3][CH2:4][CH2:5][O:6][C:7]1[CH:12]=[C:11]([CH3:13])[C:10]([C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([CH2:20][OH:21])[CH:15]=2)=[C:9]([CH3:22])[CH:8]=1)[CH3:2] | 1 |
[Br:1][C:2]1[CH:6]=[N:5][N:4]([CH3:7])[C:3]=1[C:8]1[CH:9]=[C:10]([NH2:16])[CH:11]=[CH:12][C:13]=1[O:14][CH3:15].[Cl:17][C:18]1[CH:23]=[CH:22][C:21]([N:24]=[C:25]=[S:26])=[CH:20][CH:19]=1>C(Cl)Cl>[Br:1][C:2]1[CH:6]=[N:5][N:4]([CH3:7])[C:3]=1[C:8]1[CH:9]=[C:10]([NH:16][C:25]([NH:24][C:21]2[CH:22]=[CH:23][C:18]([Cl:17])=[CH:19][CH:20]=2)=[S:26])[CH:11]=[CH:12][C:13]=1[O:14][CH3:15] | 1 |
Cl[C:2]1[N:7]=[C:6]2[N:8]([CH2:21][O:22][CH2:23][CH2:24][Si:25]([CH3:28])([CH3:27])[CH3:26])[C:9]([O:11][C@H:12]3[C@H:16]4[O:17][CH2:18][C@@H:19]([OH:20])[C@H:15]4[O:14][CH2:13]3)=[N:10][C:5]2=[CH:4][C:3]=1[Cl:29].[NH:30]1[CH2:35][CH2:34][NH:33][CH2:32][CH2:31]1.C(=O)([O-])[O-].[Cs+].[Cs+]>O1CCOCC1>[Cl:29][C:3]1[CH:4]=[C:5]2[N:10]=[C:9]([O:11][C@H:12]3[C@H:16]4[O:17][CH2:18][C@@H:19]([OH:20])[C@H:15]4[O:14][CH2:13]3)[N:8]([CH2:21][O:22][CH2:23][CH2:24][Si:25]([CH3:28])([CH3:27])[CH3:26])[C:6]2=[N:7][C:2]=1[N:30]1[CH2:35][CH2:34][NH:33][CH2:32][CH2:31]1 | 2 |
BrCCCOC.COC1=CC=C(CN2N=C3NCCCC(C3=C2)=O)C=C1>CC(C)(C)[O-].[K+].C1CCCO1.C1COCCOCCOCCOCCOCCO1>COC1=CC=C(CN2N=C3N(CCCC(C3=C2)=O)CCCOC)C=C1 | 3 |
[CH3:1][C:2]1[C:6]2[C:7](=[O:19])[N:8]([CH2:12][CH2:13][N:14]3[CH2:18][CH2:17][CH2:16][CH2:15]3)[CH2:9][CH2:10][CH2:11][C:5]=2[NH:4][C:3]=1[CH:20]=O.[F:22][C:23]1[CH:24]=[C:25]2[C:29](=[CH:30][CH:31]=1)[NH:28][C:27](=[O:32])[CH2:26]2>>[F:22][C:23]1[CH:24]=[C:25]2[C:29](=[CH:30][CH:31]=1)[NH:28][C:27](=[O:32])/[C:26]/2=[CH:20]\[C:3]1[NH:4][C:5]2[CH2:11][CH2:10][CH2:9][N:8]([CH2:12][CH2:13][N:14]3[CH2:15][CH2:16][CH2:17][CH2:18]3)[C:7](=[O:19])[C:6]=2[C:2]=1[CH3:1] | 1 |
[CH3:1][C:2]1[O:3][C:4]2[C:9]([C:10](=[O:12])[CH:11]=1)=[CH:8][CH:7]=[CH:6][C:5]=2[CH:13]=[C:14]([C:23](=O)[CH3:24])[C:15]([C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)=[O:16].[NH2:26]/[C:27](/[CH3:36])=[CH:28]\[C:29]([O:31][CH:32]1[CH2:35][CH2:34][CH2:33]1)=[O:30]>C(O)C>[C:15]([C:14]1[CH:13]([C:5]2[CH:6]=[CH:7][CH:8]=[C:9]3[C:4]=2[O:3][C:2]([CH3:1])=[CH:11][C:10]3=[O:12])[C:28]([C:29]([O:31][CH:32]2[CH2:35][CH2:34][CH2:33]2)=[O:30])=[C:27]([CH3:36])[NH:26][C:23]=1[CH3:24])(=[O:16])[C:17]1[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=1 | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15]2[O:16][C:17]3[CH:23]=[CH:22][CH:21]=[C:20]([OH:24])[C:18]=3[N:19]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[N:25]1[CH:30]=[CH:29][C:28]([CH2:31]O)=[CH:27][CH:26]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OC(C)(C)C)=O)=NC(OC(C)(C)C)=O>C1COCC1>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15]2[O:16][C:17]3[CH:23]=[CH:22][CH:21]=[C:20]([O:24][CH2:31][C:28]4[CH:29]=[CH:30][N:25]=[CH:26][CH:27]=4)[C:18]=3[N:19]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 2 |
C1(CC1)CN1C(N(C2=CC(=C(C=C2C1=O)NC(=O)N1C[C@@H](CCC1)NC(OC(C)(C)C)=O)F)C(C)C)=O>Cl.C(C)(=O)OCC>N[C@H]1CN(CCC1)C(=O)NC=1C=C2C(N(C(N(C2=CC1F)C(C)C)=O)CC1CC1)=O | 3 |
BrC1=C(C=NN1CC)CC(=O)N>C(C)(=O)O.COC(N(C)C)OC.C(O)([O-])=O.[Na+]>Cl.FC1=CC(=C(C=C1)NN)I.BrC1=C(C=NN1CC)CC1=NC=NN1C1=C(C=C(C=C1)F)I | 3 |
BrCC#N.OC1=C(C=CC=C1)C1=NC=CC2=CC(=CC=C12)S(=O)(=O)N(C=1SC=CN1)CC1=CC=C(C=C1)OC>>C(#N)COC1=C(C=CC=C1)C1=NC=CC2=CC(=CC=C12)S(=O)(=O)N(C=1SC=CN1)CC1=CC=C(C=C1)OC | 5 |
N(C)OC.C1(=CC(=CC=C1)C1=C(N=CO1)C(=O)O)C>ClCCl.CCN(CC)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>CON(C(=O)C=1N=COC1C=1C=C(C=CC1)C)C | 3 |
OCCN1C(OCC1)=O>>O=C1OCCN1CC(=O)O | 5 |
N1=CC=C(C=C1)B(O)O.ClC1=NC(=CC(=N1)OC1=CC=CC2=C1N=C(S2)NC(C)=O)C2=CC=C(C=C2)C(F)(F)F>C([O-])([O-])=O.[Na+].[Na+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>N1=CC=C(C=C1)C1=NC(=CC(=N1)OC1=CC=CC2=C1N=C(S2)NC(C)=O)C2=CC=C(C=C2)C(F)(F)F | 3 |
N[C@H]1CN(CCC1)C(=O)C1=CC2=C(N(C(=N2)C2=CC=3C(=NC=CC3)N2CC2CC2)C)C=C1>>Cl.N[C@H]1CN(CCC1)C(=O)C1=CC2=C(N(C(=N2)C2=CC=3C(=NC=CC3)N2CC2CC2)C)C=C1 | 5 |
N[C@@H]1CC[C@@H]([C@@H](C1)CC#N)N(CC1=CC=CC=C1)CC1=CC=CC=C1>CC(=O)C.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C(C1=CC=CC=C1)N([C@@H]1[C@@H](C[C@@H](CC1)N(C)C(C)C)CC#N)CC1=CC=CC=C1 | 3 |
[C:1]([O:5][C:6](=[O:14])[CH2:7][N:8]1[CH:12]=[C:11](Br)[CH:10]=[N:9]1)([CH3:4])([CH3:3])[CH3:2].[CH:15]1(B(O)O)[CH2:17][CH2:16]1.P([O-])([O-])([O-])=O.[K+].[K+].[K+].C1(P(C2CCCCC2)C2CCCCC2)CCCCC1>C1(C)C=CC=CC=1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.O>[CH:15]1([C:11]2[CH:10]=[N:9][N:8]([CH2:7][C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:14])[CH:12]=2)[CH2:17][CH2:16]1 | 1 |
C1(CCCCC1)[Mg]Br.COC1=C(C=CC=C1)N1N=C(C(=C1)C)C=O>>C1(CCCCC1)C(O)C1=NN(C=C1C)C1=C(C=CC=C1)OC | 5 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:11]3[C:12]([CH:15]4[CH2:17][CH2:16]4)=[N:13][N:14]=[C:10]3[C@@H:9]([CH2:18][CH2:19][OH:20])[S:8][C@H:7]([C:21]3[CH:26]=[CH:25][CH:24]=[C:23]([O:27][CH3:28])[C:22]=3[O:29][CH3:30])[C:6]=2[CH:31]=1.C(N(CC)CC)C.[CH3:39][S:40](Cl)(=[O:42])=[O:41].C(=O)(O)[O-].[Na+]>ClCCl>[CH3:39][S:40]([O:20][CH2:19][CH2:18][C@H:9]1[S:8][C@H:7]([C:21]2[CH:26]=[CH:25][CH:24]=[C:23]([O:27][CH3:28])[C:22]=2[O:29][CH3:30])[C:6]2[CH:31]=[C:2]([Cl:1])[CH:3]=[CH:4][C:5]=2[N:11]2[C:12]([CH:15]3[CH2:17][CH2:16]3)=[N:13][N:14]=[C:10]12)(=[O:42])=[O:41] | 2 |
[C:1]([O:5][C:6]([N:8]1[C:16]2[C:11](=[CH:12][C:13]([OH:17])=[CH:14][CH:15]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C([O-])([O-])=O.[K+].[K+].[Br:24][CH:25]=[CH:26][CH2:27][CH2:28]Br>CN(C=O)C.CCOCC.O>[C:1]([O:5][C:6]([N:8]1[C:16]2[C:11](=[CH:12][C:13]([O:17][CH2:28][CH:27]=[CH:26][CH2:25][Br:24])=[CH:14][CH:15]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 1 |
C(O)C.Cl.[C:5]([CH2:8][C:9]([O:11][CH2:12][CH3:13])=[O:10])(=[NH:7])[NH2:6].[O-]CC.[Na+].[CH2:18]([O:25][C:26]1[CH:31]=[CH:30][C:29]([C:32](=O)[CH2:33]Br)=[CH:28][CH:27]=1)[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1>O>[CH2:12]([O:11][C:9]([C:8]1[CH:33]=[C:32]([C:29]2[CH:30]=[CH:31][C:26]([O:25][CH2:18][C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=3)=[CH:27][CH:28]=2)[NH:7][C:5]=1[NH2:6])=[O:10])[CH3:13] | 1 |
[CH2:1]([N:8]([CH2:13][C:14]1[C:15](Cl)=[N:16][C:17]([Cl:20])=[CH:18][CH:19]=1)[CH2:9][CH2:10][CH:11]=[CH2:12])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(=O)([O-])[O-].[K+].[K+].CC1C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C>[Br-].C([N+](CCCC)(CCCC)CCCC)CCC.CN(C=O)C.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[CH2:1]([N:8]1[CH2:9][CH2:10][C:11](=[CH2:12])[C:15]2[N:16]=[C:17]([Cl:20])[CH:18]=[CH:19][C:14]=2[CH2:13]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
CO.[ClH:3].Cl.Cl.[OH:6][C:7]1[CH:31]=[CH:30][C:10]([CH2:11][NH:12][C:13]([NH:15][C:16]([NH:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])=[NH:17])=[NH:14])=[CH:9][CH:8]=1.[CH3:32][C:33]([CH3:35])=O>>[ClH:3].[CH2:19]([NH:18][C:16]1[NH:15][C:13]([NH:12][CH2:11][C:10]2[CH:9]=[CH:8][C:7]([OH:6])=[CH:31][CH:30]=2)=[N:14][C:33]([CH3:35])([CH3:32])[N:17]=1)[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29] | 1 |
FC(F)(F)S(O[C:7]1[C:8]([C:18](=[O:20])[CH3:19])=[CH:9][C:10]([Cl:17])=[C:11]2[C:16]=1[N:15]=[CH:14][CH:13]=[CH:12]2)(=O)=O.Cl.Cl.[CH:25]1([N:29]2[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]2)[CH2:28][CH2:27][CH2:26]1.C(=O)([O-])[O-].[Cs+].[Cs+]>O1CCCC1.ClCCl.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C1C=CC(P(C2C=CC3C(=CC=CC=3)C=2C2C3C(=CC=CC=3)C=CC=2P(C2C=CC=CC=2)C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[Cl:17][C:10]1[CH:9]=[C:8]([C:18](=[O:20])[CH3:19])[C:7]([N:32]2[CH2:33][CH2:34][N:29]([CH:25]3[CH2:28][CH2:27][CH2:26]3)[CH2:30][CH2:31]2)=[C:16]2[C:11]=1[CH:12]=[CH:13][CH:14]=[N:15]2 | 1 |
OC=1N=CC2=CC=CC=C2C1.S1C2=C(C=C1)C(=CC=C2)N2CCN(CC2)CCCCl>>Cl.S1C2=C(C=C1)C(=CC=C2)N2CCN(CC2)CCCOC=2N=CC1=CC=CC=C1C2 | 5 |
C(=C)B1OC(C)(C)C(C)(C)O1.BrC1=NC=CC=C1C(CC)O>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C>CC(CC)C1=C(C=CC=C1)C=C | 3 |
C(C)(C)C1=NN=C2N1N=C(C=C2)C=C>O.O1CCOCC1.I(=O)(=O)(=O)[O-].[Na+].[Os](=O)(=O)(=O)=O>C(C)(C)C1=NN=C2N1N=C(C=C2)C=O | 3 |
CC1=CC2=C(N=C(N=C2C2=CC=C(C=C2)C(F)(F)F)SC)S1>>CC1=CC2=C(N=C(N=C2C2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C)S1.CC1=CC2=C(N=C(N=C2C2=CC=C(C=C2)C(F)(F)F)S(=O)C)S1 | 5 |
C[C@@]1(NC(OC1)=O)CCC=1N(C=C(C1)C(CCCCC1=CC=CC=C1)=O)C>>N[C@@](CO)(CCC=1N(C=C(C1)C(CCCCC1=CC=CC=C1)=O)C)C | 5 |
C(C)(C)(C)OC(=O)N1C[C@@H](CCC1)C(NC=1C=NC2=CC(=CC=C2C1N)Br)=O>CCO[H].[OH-].[Na+].C(C)(=O)OCC>C(C)(C)(C)OC(=O)N1C[C@@H](CCC1)C=1NC2=C(C=NC=3C=C(C=CC23)Br)N1 | 3 |
[N+:1]([C:4]1[CH:9]=[C:8]([F:10])[C:7]([OH:11])=[CH:6][C:5]=1[CH3:12])([O-:3])=[O:2].C([O-])([O-])=O.[K+].[K+].[CH2:19](Br)[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1>CC(C)=O>[N+:1]([C:4]1[CH:9]=[C:8]([F:10])[C:7]([O:11][CH2:19][C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)=[CH:6][C:5]=1[CH3:12])([O-:3])=[O:2] | 1 |
[N:1]1[CH:9]=[C:8]2[C:4]([N:5]([CH2:10][C:11]3[CH:22]=[CH:21][C:14]4[N:15]=[C:16](S(C)=O)[O:17][C:13]=4[CH:12]=3)[CH:6]=[N:7]2)=[N:3][CH:2]=1.[NH2:23][C@@H:24]1[CH2:29][CH2:28][CH2:27][CH2:26][C@H:25]1[OH:30].CCN(C(C)C)C(C)C.O>CC(N(C)C)=O>[N:1]1[CH:9]=[C:8]2[C:4]([N:5]([CH2:10][C:11]3[CH:22]=[CH:21][C:14]4[N:15]=[C:16]([NH:23][C@@H:24]5[CH2:29][CH2:28][CH2:27][CH2:26][C@H:25]5[OH:30])[O:17][C:13]=4[CH:12]=3)[CH:6]=[N:7]2)=[N:3][CH:2]=1 | 1 |
Cl.CNOC.ClC=1C=C(C(=O)O)C(=CN1)Cl>ClCCl.CCN(CC)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(=O)N(C)OC)C(=CN1)Cl | 3 |
[Si](C)(C)(C(C)(C)C)OC(CCC(C(NC1=CC=C(C=C1)F)C=1C=C(C#N)C=CC1)C(=O)N1C(OCC1C1=CC=CC=C1)=O)C1=CC=C(C=C1)F>>FC1=CC=C(C=C1)N1C(C(C1=O)CCC(O)C1=CC=C(C=C1)F)C=1C=C(C#N)C=CC1 | 5 |
C(OC(=O)[NH:7][CH:8]([CH3:18])[CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[C:12]([C:16]#[N:17])[CH:11]=1)(C)(C)C>ClCCl.FC(F)(F)C(O)=O>[NH2:7][CH:8]([CH3:18])[CH2:9][C:10]1[CH:11]=[C:12]([CH:13]=[CH:14][CH:15]=1)[C:16]#[N:17] | 1 |
N[C@@H](C(C)(C)C)CO.FC1=CC(=C(C=C1I)C(CC(=O)OCC)=O)OC>>FC1=CC(=C(C(=O)C(C(=O)OCC)=CN[C@H](CO)C(C)(C)C)C=C1I)OC | 5 |
[F:1][C:2]1[CH:3]=[C:4](I)[CH:5]=[C:6]2[C:11]=1[N:10]([CH2:12][CH2:13][O:14][Si:15]([C:18]([CH3:21])([CH3:20])[CH3:19])([CH3:17])[CH3:16])[CH:9]=[C:8]([C:22]([O:24][CH2:25][CH3:26])=[O:23])[C:7]2=[O:27].[Cl-].[Cl:30][C:31]1[C:38]([Cl:39])=[CH:37][CH:36]=[CH:35][C:32]=1[CH2:33][Zn+].[Cl-].[NH4+].C(OCC)(=O)C>C1COCC1.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].O1C=CC=C1P(C1OC=CC=1)C1OC=CC=1.C(Cl)(Cl)Cl>[Cl:30][C:31]1[C:38]([Cl:39])=[CH:37][CH:36]=[CH:35][C:32]=1[CH2:33][C:4]1[CH:5]=[C:6]2[C:11](=[C:2]([F:1])[CH:3]=1)[N:10]([CH2:12][CH2:13][O:14][Si:15]([C:18]([CH3:21])([CH3:20])[CH3:19])([CH3:17])[CH3:16])[CH:9]=[C:8]([C:22]([O:24][CH2:25][CH3:26])=[O:23])[C:7]2=[O:27] | 1 |
[CH2:1]([C:3]([C:12]#N)([CH3:11])[C:4]1[CH:9]=[CH:8][C:7]([F:10])=[CH:6][CH:5]=1)[CH3:2].S(=O)(=O)(O)[OH:15].[OH2:19]>>[F:10][C:7]1[CH:8]=[CH:9][C:4]([C:3]([CH3:11])([CH2:1][CH3:2])[C:12]([OH:15])=[O:19])=[CH:5][CH:6]=1 | 1 |
CC1(CCC1)C(=O)O.N1CCC(CC1)N1N=CC(=C1)OC=1C=2C3=C(C(NC3=CC1)=O)C=CC2>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>CC1(CCC1)C(=O)N1CCC(CC1)N1N=CC(=C1)OC=1C=2C3=C(C(NC3=CC1)=O)C=CC2 | 3 |
ClCC1=C(C=CC2=CC=CC=C12)OC.C(C)(=O)N1C2=C(NC([C@H]([C@@H]1C)NC([C@H](C)N(C(OC(C)(C)C)=O)C)=O)=O)C=CC=C2>N(C)(C)C=O.[I-].[Na+].C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(=O)N1C2=C(N(C([C@H]([C@@H]1C)NC([C@H](C)N(C(OC(C)(C)C)=O)C)=O)=O)CC1=C(C=CC3=CC=CC=C13)OC)C=CC=C2 | 3 |
[ClH:1].C(N(CC)CC)C.[I:9][C:10]1[CH:11]=[C:12]([CH:16]=[CH:17][C:18]=1[N+:19]([O-:21])=[O:20])[C:13](Cl)=[O:14].[N+](C1C=C([N+]([O-])=O)C=CC=1C([NH:29][CH2:30][C:31]([O:33][CH2:34]C1C=CC=CC=1)=[O:32])=O)([O-])=O.[CH2:48]([Cl:50])[Cl:49]>O1CCOCC1>[I:9][C:10]1[CH:11]=[C:12]([CH:16]=[CH:17][C:18]=1[N+:19]([O-:21])=[O:20])[C:13]([NH:29][CH2:30][C:31]([O:33][CH2:34][C:48]([Cl:1])([Cl:50])[Cl:49])=[O:32])=[O:14] | 1 |
[C:1]([C:3]1[N:7]2[C:8]3[C:13]([N:14]=[C:15]([NH:16][CH2:17][CH2:18][CH2:19][OH:20])[C:6]2=[N:5][CH:4]=1)=[CH:12][C:11]([C:21]([F:24])([F:23])[F:22])=[CH:10][CH:9]=3)#[CH:2].C[Si]([N:29]=[N+:30]=[N-:31])(C)C>CO>[NH:29]1[C:1]([C:3]2[N:7]3[C:8]4[C:13]([N:14]=[C:15]([NH:16][CH2:17][CH2:18][CH2:19][OH:20])[C:6]3=[N:5][CH:4]=2)=[CH:12][C:11]([C:21]([F:22])([F:23])[F:24])=[CH:10][CH:9]=4)=[CH:2][N:31]=[N:30]1 | 1 |
CS(=O)(=O)Cl.NC1=CC2=C(C(=C(O2)C2=CC=C(C=C2)F)C(=O)OCC)C=C1Br>>C(C)OC(=O)C1=C(OC2=C1C=C(C(=C2)NS(=O)(=O)C)Br)C2=CC=C(C=C2)F | 5 |
C(C)I.BrC1=C(C=CC(=C1)C(C)C)NC=1N=C(C2=C(N1)N(CCC2)C(CC)CC)C>N(C)(C)C=O.[H-].[Na+]>BrC1=C(C=CC(=C1)C(C)C)N(C=1N=C(C2=C(N1)N(CCC2)C(CC)CC)C)CC | 3 |
[H-].[H-].[H-].[H-].[Li+].[Al+3].[CH2:7]([O:14][C:15]1[C:16]2[N:17]([C:21]([CH3:28])=[C:22]([C:24](OC)=[O:25])[N:23]=2)[CH:18]=[CH:19][CH:20]=1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.O.[OH-].[Na+]>O1CCCC1>[CH2:7]([O:14][C:15]1[C:16]2[N:17]([C:21]([CH3:28])=[C:22]([CH2:24][OH:25])[N:23]=2)[CH:18]=[CH:19][CH:20]=1)[C:8]1[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=1 | 1 |
Cl.C1(=CC=CC=C1)C=1CCNCC1.ClC=1N(C=C(N1)[N+](=O)[O-])C[C@]1(OC1)C>N(C)(C)C=O.[OH-].[Na+]>ClC=1N(C=C(N1)[N+](=O)[O-])C[C@](CN1CCC(=CC1)C1=CC=CC=C1)(O)C | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:16]3[C:11](=[CH:12][C:13](O)=[C:14]([CH3:17])[CH:15]=3)[CH:10]=[N:9]2)=[CH:4][CH:3]=1.S(OS(C(F)(F)F)(=O)=O)(C(F)(F)F)(=O)=O.[C:34]([O:38][CH2:39][CH3:40])(=[O:37])[CH:35]=[CH2:36].C(N(CC)CC)C>C(Cl)Cl.CCOC(C)=O.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.N1C=CC=CC=1>[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:16]3[C:11](=[CH:12][C:13](/[CH:36]=[CH:35]/[C:34]([O:38][CH2:39][CH3:40])=[O:37])=[C:14]([CH3:17])[CH:15]=3)[CH:10]=[N:9]2)=[CH:4][CH:3]=1 | 1 |
COC=1C=C(C=CC1)S(=O)(=O)Cl.FC(C(=O)N[C@@H](CC1=CC=CC=C1)C)(F)F>>FC(C(=O)N[C@@H](CC1=CC=C(C=C1)S(=O)(=O)C1=CC(=CC=C1)OC)C)(F)F | 5 |
Cl[C:2]1[CH:7]=[CH:6][N:5]=[C:4]([S:8][CH3:9])[N:3]=1.[NH2:10][NH2:11].C(=O)([O-])[O-].[K+].[K+]>C(O)C>[CH3:9][S:8][C:4]1[N:3]=[C:2]([NH:10][NH2:11])[CH:7]=[CH:6][N:5]=1 | 1 |
COC=1C(=C(C=C(C1)C)C)C1=NC(=C(C(=N1)OC)[N+](=O)[O-])C>>COC1=NC(=NC(=C1N)C)C1=C(C=C(C=C1OC)C)C | 5 |
[CH:1]([C:3]1[CH:8]=[CH:7][C:6]([C@H:9]2[O:14][CH2:13][CH2:12][N:11]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:10]2)=[CH:5][CH:4]=1)=O.Cl.[NH2:23][OH:24]>C(O)C>[OH:24]/[N:23]=[CH:1]/[C:3]1[CH:8]=[CH:7][C:6]([C@H:9]2[O:14][CH2:13][CH2:12][N:11]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:10]2)=[CH:5][CH:4]=1 | 2 |
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]([CH2:8][CH2:9][C:10]([P:16]([OH:19])([OH:18])=[O:17])([P:12]([OH:15])([OH:14])=[O:13])[OH:11])[CH3:7].[OH-].[Na+:21]>CO>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]([CH2:8][CH2:9][C:10]([P:16]([O-:19])([OH:18])=[O:17])([P:12]([OH:15])([OH:14])=[O:13])[OH:11])[CH3:7].[Na+:21] | 1 |
FC=1C=C(C=CC1F)B(O)O.C(C1=CC=CC=C1)OC=1C=CC=C2C(=C([N+](=CC12)[O-])C1CCOCC1)Br>O.CS(=O)C.C([O-])([O-])=O.[Na+].[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]>C(C1=CC=CC=C1)OC=1C=CC=C2C(=C([N+](=CC12)[O-])C1CCOCC1)C1=CC(=C(C=C1)F)F | 3 |
Cl.C1(=C(C=CC=C1)NN)C.O=C1C(CCCC1)C#N>>CC1=C(C=CC=C1)N1N=C2CCCCC2=C1N | 5 |
C(N1C=CN=C1)([N:3]1C=CN=C1)=O.[C:13]1([N:19]2[C:27]3[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=3)[C:21]([C:28]([OH:30])=O)=[N:20]2)[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.N>C1COCC1>[C:13]1([N:19]2[C:27]3[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=3)[C:21]([C:28]([NH2:3])=[O:30])=[N:20]2)[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1 | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.N[C@@H]1C[C@H](N(C1)C(=O)C=1N=C2N(C=C(C=C2)Cl)C1)C=1SC=C(N1)C(=O)O>O.C1CCCO1.CO[H].CCN(CC)CC>C(C)(C)(C)OC(=O)N[C@@H]1C[C@H](N(C1)C(=O)C=1N=C2N(C=C(C=C2)Cl)C1)C=1SC=C(N1)C(=O)O | 3 |
[C:1]([C:5]1[CH:9]=[C:8]([NH:10][C:11]2[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][C:12]=2[C:13]([OH:15])=[O:14])[N:7]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=2[CH3:28])[N:6]=1)([CH3:4])([CH3:3])[CH3:2].[F:29][B-](F)(F)F.F[B-](F)(F)F.ClC[N+]12CC[N+](F)(CC1)CC2>CC#N>[C:1]([C:5]1[C:9]([F:29])=[C:8]([NH:10][C:11]2[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][C:12]=2[C:13]([OH:15])=[O:14])[N:7]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=2[CH3:28])[N:6]=1)([CH3:4])([CH3:3])[CH3:2] | 1 |
C(C)(C)OB(OC(C)C)OC(C)C.BrC=1C=C2C=CC(=CC2=CC1)C1=CC2=C(OC3=C2C=CC=C3)C=C1>>C1=C(C=CC=2OC3=C(C21)C=CC=C3)C=3C=C2C=CC(=CC2=CC3)B(O)O | 5 |
Cl[C:2]1[CH:7]=[CH:6][N:5]=[CH:4][C:3]=1[N+:8]([O-:10])=[O:9].[CH3:11][O:12][C:13]1[CH:19]=[CH:18][C:16]([NH2:17])=[CH:15][CH:14]=1.C(=O)(O)[O-].[Na+]>C1COCC1.CCO>[CH3:11][O:12][C:13]1[CH:19]=[CH:18][C:16]([NH:17][C:2]2[CH:7]=[CH:6][N:5]=[CH:4][C:3]=2[N+:8]([O-:10])=[O:9])=[CH:15][CH:14]=1 | 2 |
P(=O)(O)([O-])[O-].[Na+].[Na+].BrCC(=O)NC(=O)C1CC1.BrC=1C=CC=2N(C1)C(=NN2)C(C2=CC=C(N=N2)N)(F)F>CN(C(C)=O)C.[I-].[K+]>BrC=1C=CC=2N(C1)C(=NN2)C(C=2C=CC=1N(N2)C=C(N1)NC(=O)C1CC1)(F)F | 3 |
ClC1=C2C=C(NC2=CC(=C1)OC1=CC=CC=C1)C(=O)OC>C1CCCO1.[OH-].[Li+]>ClC1=C2C=C(NC2=CC(=C1)OC1=CC=CC=C1)C(=O)O | 3 |
ClC1=C(C=CC(=C1)Cl)C1N(C(C2=CC=CC=C2C1C(=O)NCCC1=CC=CC(=N1)OCC(=O)OCC1=CC=CC=C1)=O)C1C(CCCC1)NS(=O)(=O)C>>ClC1=C(C=CC(=C1)Cl)C1N(C(C2=CC=CC=C2C1C(=O)NCCC1=CC=CC(=N1)OCC(=O)O)=O)C1C(CCCC1)NS(=O)(=O)C | 5 |
N(=[N+]=[N-])CC1=CC[C@H]([C@@H](C1)[N+](=O)[O-])C1=C(C=C(C=C1)Cl)Cl>>ClC1=C(C=CC(=C1)Cl)[C@@H]1CC=C(C[C@H]1[N+](=O)[O-])CN | 5 |
FC1=C(C=CC2=C1C(=C(O2)C(C(C)C)=O)C)F>O.CCO[H].Cl.NO.C(C)(=O)[O-].[Na+]>FC1=C(C=CC2=C1C(=C(O2)\C(\C(C)C)=N/O)C)F | 3 |
C(C)(=O)OC(C)=O.C1=C(C=CC=C1O)C>ClCCl.c1ccncc1>C(C)(=O)OC=1C=C(C=CC1)C | 3 |
[C:1]1([CH3:11])[CH:6]=[CH:5][C:4]([S:7](Cl)(=[O:9])=[O:8])=[CH:3][CH:2]=1.[CH2:12]([O:17][CH:18]([CH3:25])[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][OH:24])[CH2:13][CH2:14][CH2:15][CH3:16].O.Cl>N1C=CC=CC=1>[CH2:12]([O:17][CH:18]([CH3:25])[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][O:24][S:7]([C:4]1[CH:5]=[CH:6][C:1]([CH3:11])=[CH:2][CH:3]=1)(=[O:9])=[O:8])[CH2:13][CH2:14][CH2:15][CH3:16] | 1 |
OC1=NC=C(C(=N1)O)B(O)O.C(C)(C)(C)OC(=O)N1C[C@H](CCC1)NC1=NC=C(C(=N1)C1=CN(C2=CC(=CC=C12)Br)S(=O)(=O)C1=CC=CC=C1)C(F)(F)F>O.O1CCOCC1.C(O)([O-])=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]>C(C)(C)(C)OC(=O)N1C[C@H](CCC1)NC1=NC=C(C(=N1)C1=CN(C2=CC(=CC=C12)C=1C(NC(NC1)=O)=O)S(=O)(=O)C1=CC=CC=C1)C(F)(F)F | 3 |
C(CCC)(=O)Cl.C(C)(C)(C)OC(NC1=CC=2CC3=CC(=CC=C3C2C=C1)N)=O>>C(C)(C)(C)OC(NC1=CC=2CC3=CC(=CC=C3C2C=C1)NCCCC)=O | 5 |
CI.C(N)(=S)C=1C(=CC(=C(C(=O)OC)C1)C)C>>N=C(C=1C(=CC(=C(C(=O)OC)C1)C)C)SC | 5 |
Br[C:2]1[C:3]2[N:4]([CH:9]=[CH:10][N:11]=2)[N:5]=[C:6]([Cl:8])[CH:7]=1.[C:12]([C:14]1[CH:20]=[CH:19][C:17]([NH2:18])=[CH:16][CH:15]=1)#[N:13].[CH3:21]C([O-])(C)C.[K+]>C1COCC1>[Cl:8][C:6]1[C:7]([CH3:21])=[C:2]([NH:18][C:17]2[CH:19]=[CH:20][C:14]([C:12]#[N:13])=[CH:15][CH:16]=2)[C:3]2[N:4]([CH:9]=[CH:10][N:11]=2)[N:5]=1 | 1 |
CN1C(=NC=C1C1=NC(=NC=C1)NC1=CC=C(C=C1)NC(C)=O)C>>CN1C(=NC=C1C1=NC(=NC=C1)NC1=CC=C(C=C1)N)C | 5 |
[H-].[Na+].C(OP([CH2:11][C:12]([O:14][CH2:15][CH3:16])=[O:13])(OCC)=O)C.[CH2:17]([O:26][C:27]1[CH:32]=[CH:31][C:30]([C:33](=O)[CH3:34])=[CH:29][C:28]=1[N+:36]([O-:38])=[O:37])/[CH:18]=[CH:19]/[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1>C1COCC1>[CH2:17]([O:26][C:27]1[CH:32]=[CH:31][C:30]([C:33]([CH3:34])=[CH:11][C:12]([O:14][CH2:15][CH3:16])=[O:13])=[CH:29][C:28]=1[N+:36]([O-:38])=[O:37])[CH:18]=[CH:19][C:20]1[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=1 | 2 |
FC(S(=O)(=O)O[Si](C)(C)C(C)(C)C)(F)F.FC1=CC=C(C=C1)[C@H]1N2C(CCC[C@@H]2C[C@@](C1)(C)O)=O>>[Si](C)(C)(C(C)(C)C)O[C@]1(C[C@H](N2C(CCC[C@@H]2C1)=O)C1=CC=C(C=C1)F)C | 5 |
Cl[C:2]1[N:3]=[N:4][C:5]([O:8][CH2:9][CH:10]2[CH2:15][CH2:14][N:13]([CH2:16][C:17]([F:20])([CH3:19])[CH3:18])[CH2:12][CH2:11]2)=[CH:6][CH:7]=1.[CH3:21][O:22][C:23]([C:25]1[CH:30]=[CH:29][C:28](B(O)O)=[CH:27][CH:26]=1)=[O:24].C([O-])([O-])=O.[Na+].[Na+]>C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].COCCOC>[F:20][C:17]([CH3:19])([CH3:18])[CH2:16][N:13]1[CH2:14][CH2:15][CH:10]([CH2:9][O:8][C:5]2[N:4]=[N:3][C:2]([C:28]3[CH:29]=[CH:30][C:25]([C:23]([O:22][CH3:21])=[O:24])=[CH:26][CH:27]=3)=[CH:7][CH:6]=2)[CH2:11][CH2:12]1 | 2 |
C(C)(C)(C)OC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.CC=1C=C(C=C2C=NNC12)CC=O>C1CCCO1>C(C)(C)(C)OC(C=CCC=1C=C2C=NNC2=C(C1)C)=O | 3 |
C(C)(C)(C)N(C(C(=O)OCC)=O)CCOCC#CC1=CN=CS1>>C(C)(C)(C)N(C(C(=O)O)=O)CCOCC#CC1=CN=CS1 | 5 |
N(=[N+]=[N-])CC1(C2=CC=CC=C2OC=2C=CC=CC12)CCCCCC>O.C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3>C(CCCCC)C1(C2=CC=CC=C2OC=2C=CC=CC12)CN | 3 |
C(C1=CC=CC=C1)OC(=O)Cl.Cl.COC([C@@H](N)CC(C)C)=O>>COC([C@@H](NC(=O)OCC1=CC=CC=C1)CC(C)C)=O | 5 |
C(C)(=O)Cl.C(C)(C)[C@@H]1C(N[C@H]1CCO)=O>ClCCl.c1ccncc1>C(C)(C)C1C(NC1CCOC(C)=O)=O | 3 |
C(C)OC(C(F)Br)=O.C[C@@H](CC)O>CC(C)(C)[O-].[K+].CCCCCC>BrC(C(=O)O[C@@H](C)CC)F | 3 |
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:12][N:11]=[C:10]([CH3:13])[C:9]=2[CH2:14][S:15][CH2:16][CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)=[CH:4][CH:3]=1.[CH2:24]([O:26][C:27]([C@@H:29]1[CH2:31][C@@H:30]1[C:32]1[CH:37]=[CH:36][C:35](B2OC(C)(C)C(C)(C)O2)=[CH:34][CH:33]=1)=[O:28])[CH3:25]>>[CH2:24]([O:26][C:27]([C@@H:29]1[CH2:31][C@@H:30]1[C:32]1[CH:37]=[CH:36][C:35]([C:2]2[CH:7]=[CH:6][C:5]([C:8]3[O:12][N:11]=[C:10]([CH3:13])[C:9]=3[CH2:14][S:15][CH2:16][CH2:17][C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)=[CH:4][CH:3]=2)=[CH:34][CH:33]=1)=[O:28])[CH3:25] | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC1=CC=C(C=C1)[C@H]1N[C@H](CC1)[C@@H](C1=CC=CC=C1)O[Si](C)(C)C(C)(C)C>ClCCl.C(C)(C)N(C(C)C)CC>BrC1=CC=C(C=C1)[C@H]1N([C@H](CC1)[C@@H](C1=CC=CC=C1)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C | 3 |
N1C[C@@H](CC1)O.ClC1=C(C=CC=C1NC(C1=NC=C(C=C1)C=O)=O)C1=C(C(=CC=C1)NC=1N=CC=C2C=C(C=NC12)C=C)C>ClCCl.C(C)(C)N(C(C)C)CC.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].C(O)([O-])=O.[Na+]>ClC1=C(C=CC=C1NC(C1=NC=C(C=C1)CN1C[C@@H](CC1)O)=O)C1=C(C(=CC=C1)NC=1N=CC=C2C=C(C=NC12)C=C)C | 3 |
[F:1][C:2]1[CH:10]=[CH:9][C:8]2[NH:7][C:6]3[CH:11]([CH2:14][C:15]([OH:17])=[O:16])[CH2:12][CH2:13][C:5]=3[C:4]=2[CH:3]=1.[Br-:18].[Br-].[Br-].[NH+]1C=CC=CC=1.[NH+]1C=CC=CC=1.[NH+]1C=CC=CC=1>N1C=CC=CC=1>[Br:18][C:9]1[C:8]2[NH:7][C:6]3[CH:11]([CH2:14][C:15]([OH:17])=[O:16])[CH2:12][CH2:13][C:5]=3[C:4]=2[CH:3]=[C:2]([F:1])[CH:10]=1 | 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[CH:21]=[CH:20][C:19]([NH2:22])=[CH:18][CH:17]=1.ClC(Cl)([O:26]C(=O)OC(Cl)(Cl)Cl)Cl.[Cl:35][CH2:36][CH2:37][CH2:38][NH:39][C:40]1C=CC=CC=1.C(=O)([O-])O.[Na+]>C1(C)C=CC=CC=1.C(N(CC)CC)C>[Cl:35][CH2:36][CH2:37][CH2:38][NH:39][C:40]([NH:22][C:19]1[CH:18]=[CH:17][C:16]([O:15][C:6]2[C:5]3[C:10](=[CH:11][C:12]([O:13][CH3:14])=[C:3]([O:2][CH3:1])[CH:4]=3)[N:9]=[CH:8][CH:7]=2)=[CH:21][CH:20]=1)=[O:26] | 1 |
[C:1]([OH:9])(=O)[C:2]1[CH:7]=[CH:6][N:5]=[CH:4][CH:3]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CN1CCOCC1.[NH2:41][C:42]1[CH:47]=[C:46]([C:48]#[C:49][C:50]2[N:54]3[N:55]=[C:56]([C:59]4[CH:64]=[CH:63][C:62]([C:65]([N:67]5[CH2:72][CH2:71][O:70][CH2:69][CH2:68]5)=[O:66])=[CH:61][CH:60]=4)[CH:57]=[CH:58][C:53]3=[N:52][CH:51]=2)[CH:45]=[CH:44][N:43]=1>CN(C=O)C.O>[N:67]1([C:65]([C:62]2[CH:61]=[CH:60][C:59]([C:56]3[CH:57]=[CH:58][C:53]4[N:54]([C:50]([C:49]#[C:48][C:46]5[CH:45]=[CH:44][N:43]=[C:42]([NH:41][C:1](=[O:9])[C:2]6[CH:3]=[CH:4][N:5]=[CH:6][CH:7]=6)[CH:47]=5)=[CH:51][N:52]=4)[N:55]=3)=[CH:64][CH:63]=2)=[O:66])[CH2:68][CH2:69][O:70][CH2:71][CH2:72]1 | 2 |
[F:1][C:2]1[CH:3]=[CH:4][C:5]2[O:9][CH:8]=[C:7]([CH2:10][CH2:11]O)[C:6]=2[CH:13]=1.[Br:14]C(Br)(Br)Br.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>C(#N)C>[Br:14][CH2:11][CH2:10][C:7]1[C:6]2[CH:13]=[C:2]([F:1])[CH:3]=[CH:4][C:5]=2[O:9][CH:8]=1 | 1 |
CC1(OB(OC1(C)C)C1=CC(CCC1)=O)C.NC=1C(=NC(=CN1)Br)C1=CC(=C(C(=O)OC(C)(C)C)C=C1)F>>NC=1C(=NC(=CN1)C1=CC(CCC1)=O)C1=CC(=C(C(=O)OC(C)(C)C)C=C1)F | 5 |
Cl[CH:2]([CH3:9])[C:3]([NH:5][C:6]([NH2:8])=[O:7])=[O:4].[OH:10][C:11]1[C:16]2[C:17]3[CH2:18][NH:19][CH2:20][CH2:21][C:22]=3[C:23]([CH3:26])([CH3:25])[O:24][C:15]=2[CH:14]=[C:13]([CH:27]([CH3:35])[CH:28]([CH3:34])[CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[CH:12]=1.C(N(CC)CC)C>CN(C)C=O>[OH:10][C:11]1[C:16]2[C:17]3[CH2:18][N:19]([CH:2]([CH3:9])[C:3]([NH:5][C:6]([NH2:8])=[O:7])=[O:4])[CH2:20][CH2:21][C:22]=3[C:23]([CH3:25])([CH3:26])[O:24][C:15]=2[CH:14]=[C:13]([CH:27]([CH3:35])[CH:28]([CH3:34])[CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[CH:12]=1 | 1 |
CI.FC1=CC=C(C=C1)C1=C(C=C(C(N1)=O)C#N)C1=CC=C(C=C1)S(=O)(=O)C>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>FC1=CC=C(C=C1)C1=C(C=C(C(=N1)OC)C#N)C1=CC=C(C=C1)S(=O)(=O)C | 3 |
[Si](C)(C)(C(C)(C)C)OCC1(CC=2N(CCS1)C(=NN2)C2(CC2)C2=CC=C(C=C2)C2=NC=CC(=C2)C)C>CO[H].Cl>CC1(CC=2N(CCS1)C(=NN2)C2(CC2)C2=CC=C(C=C2)C2=NC=CC(=C2)C)CO | 3 |
[Br:1][C:2]1[N:3]=[C:4]([C:7]([OH:9])=O)[S:5][CH:6]=1.CN(C=O)C.C(Cl)(=O)C(Cl)=O.Cl.[NH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=1[CH2:29][C:30]([O:32][CH3:33])=[O:31].CCN(C(C)C)C(C)C>C(Cl)Cl>[Br:1][C:2]1[N:3]=[C:4]([C:7]([NH:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=2[CH2:29][C:30]([O:32][CH3:33])=[O:31])=[O:9])[S:5][CH:6]=1 | 2 |
C(C)(=O)Cl.C(C(CC)O)O>C1(=CC=CC=C1)C.O.c1ccncc1>C(C)(=O)OCC(CC)OC(C)=O | 3 |
BrCC#C.C(C1=CC=CC=C1)N(CC(COCCO)F)CC1=CC=CC=C1>[HH].[H-].[Na+].[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C1=CC=CC=C1)N(CC(COCCOCC#C)F)CC1=CC=CC=C1 | 3 |
C1(=CC(=CC=C1)C#C)C.ClC([C@@H]1N([C@@H]2C[C@@H]2C1)C(=O)OC(C)(C)C)=NO>ClCCl.CCN(CC)CC>CC=1C=C(C=CC1)C1=CC(=NO1)[C@@H]1N([C@@H]2C[C@@H]2C1)C(=O)OC(C)(C)C | 3 |
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