smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[C:1]([C:5]1[CH:13]=[CH:12][C:8]([C:9]([OH:11])=O)=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].C(N(CC)CC)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[CH3:45][O:46][C:47]1[CH:52]=[C:51]([C:53]2[C:54]([CH3:60])=[C:55]([NH2:59])[CH:56]=[CH:57][CH:58]=2)[CH:50]=[CH:49][N:48]=1.C([O-])(O)=O.[Na+]>C(Cl)Cl>[C:1]([C:5]1[CH:6]=[CH:7][C:8]([C:9]([NH:59][C:55]2[CH:56]=[CH:57][CH:58]=[C:53]([C:51]3[CH:50]=[CH:49][N:48]=[C:47]([O:46][CH3:45])[CH:52]=3)[C:54]=2[CH3:60])=[O:11])=[CH:12][CH:13]=1)([CH3:2])([CH3:3])[CH3:4] | 2 |
[C:1]12([C:11](=O)C(C3C=CC=CC=3)=O)[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.[C:21]([O-:24])([O-])=O.[Na+].[Na+].Cl.[CH3:28][NH:29][C:30]([NH2:32])=[NH:31].O>O1CCOCC1.CCO>[C:1]12([C:11]3([C:1]4[CH:10]=[CH:5][CH:4]=[CH:3][CH:2]=4)[N:31]=[C:30]([NH2:32])[N:29]([CH3:28])[C:21]3=[O:24])[CH2:8][CH:7]3[CH2:6][CH:5]([CH2:4][CH:3]([CH2:9]3)[CH2:2]1)[CH2:10]2 | 2 |
[I:1][C:2]1[CH:3]=[C:4]([CH2:14][O:15][C:16]2[CH:21]=[CH:20][C:19]([CH2:22][CH2:23][C:24]([O:26]CC)=[O:25])=[C:18]([CH3:29])[C:17]=2[CH3:30])[C:5]2[O:9][C:8]([CH2:10][CH2:11][CH3:12])=[CH:7][C:6]=2[CH:13]=1.[Li+].[OH-]>O1CCCC1.O>[I:1][C:2]1[CH:3]=[C:4]([CH2:14][O:15][C:16]2[CH:21]=[CH:20][C:19]([CH2:22][CH2:23][C:24]([OH:26])=[O:25])=[C:18]([CH3:29])[C:17]=2[CH3:30])[C:5]2[O:9][C:8]([CH2:10][CH2:11][CH3:12])=[CH:7][C:6]=2[CH:13]=1 | 2 |
[CH2:1]([O:8][C:9]1[C:14](=[O:15])[N:13]2[CH:16]=[CH:17][N:18]([CH2:19][C:20]([N:22]3[CH2:27][CH:26]([CH3:28])[O:25][CH:24]([CH3:29])[CH2:23]3)=[O:21])[C:12]2=[N:11][C:10]=1[C:30]1[S:31][C:32]([CH2:35][C:36]2[CH:41]=[CH:40][C:39]([F:42])=[CH:38][C:37]=2[S:43][CH3:44])=[CH:33][N:34]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.OO.CC(O)=[O:49]>O>[CH2:1]([O:8][C:9]1[C:14](=[O:15])[N:13]2[CH:16]=[CH:17][N:18]([CH2:19][C:20]([N:22]3[CH2:27][CH:26]([CH3:28])[O:25][CH:24]([CH3:29])[CH2:23]3)=[O:21])[C:12]2=[N:11][C:10]=1[C:30]1[S:31][C:32]([CH2:35][C:36]2[CH:41]=[CH:40][C:39]([F:42])=[CH:38][C:37]=2[S:43]([CH3:44])=[O:49])=[CH:33][N:34]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
COCCOCCO.BrCC#N>C1CCCO1.[H-].[Na+].[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>COCCOCCOCC#N | 3 |
Cl[C:2]([O:4][CH2:5][CH2:6][CH2:7][CH3:8])=[O:3].[CH2:9]([CH2:11][NH2:12])[OH:10].[CH2:13](N(CC)CC)C.[C:20]([O:23][CH2:24][CH3:25])(=[O:22])[CH3:21]>C(Cl)Cl>[OH:10][CH2:9][CH2:11][NH:12][C:2](=[O:3])[O:4][CH2:5][C:6]1[CH:7]=[CH:8][C:24]([O:23][C:20](=[O:22])[CH3:21])=[CH:25][CH:13]=1 | 1 |
[NH2:1][C:2]1[C:7]2[C:8]([C:11]3[CH:16]=[CH:15][C:14]([NH:17][C:18]([C:20]4[N:21]([CH3:29])[C:22]5[C:27]([CH:28]=4)=[CH:26][CH:25]=[CH:24][CH:23]=5)=[O:19])=[C:13]([O:30][CH3:31])[CH:12]=3)=[CH:9][S:10][C:6]=2[C:5](/[CH:32]=[CH:33]/[CH2:34][CH2:35][OH:36])=[CH:4][N:3]=1.[C:37]1([CH3:47])[CH:42]=[CH:41][C:40]([S:43](Cl)(=[O:45])=[O:44])=[CH:39][CH:38]=1.C(N(CC)CC)C.CC1C=CN=C(N)C=1C>ClCCl>[CH3:47][C:37]1[CH:42]=[CH:41][C:40]([S:43]([O:36][CH2:35][CH2:34]/[CH:33]=[CH:32]/[C:5]2[C:6]3[S:10][CH:9]=[C:8]([C:11]4[CH:16]=[CH:15][C:14]([NH:17][C:18]([C:20]5[N:21]([CH3:29])[C:22]6[C:27]([CH:28]=5)=[CH:26][CH:25]=[CH:24][CH:23]=6)=[O:19])=[C:13]([O:30][CH3:31])[CH:12]=4)[C:7]=3[C:2]([NH2:1])=[N:3][CH:4]=2)(=[O:45])=[O:44])=[CH:39][CH:38]=1 | 1 |
[Br:1][C:2]1[C:22]([C:23]([O:25]CC)=[O:24])=[C:5]2[S:6][CH:7]=[C:8]([C:9]3[C:14]([O:15][CH3:16])=[CH:13][C:12]([CH2:17][O:18][CH3:19])=[CH:11][C:10]=3[O:20][CH3:21])[N:4]2[N:3]=1.[OH-].[Na+]>C(O)C>[Br:1][C:2]1[C:22]([C:23]([OH:25])=[O:24])=[C:5]2[S:6][CH:7]=[C:8]([C:9]3[C:14]([O:15][CH3:16])=[CH:13][C:12]([CH2:17][O:18][CH3:19])=[CH:11][C:10]=3[O:20][CH3:21])[N:4]2[N:3]=1 | 1 |
COC1=CC=C(CCl)C=C1.OC1=CC=C2CCC(C2=C1)=O>>COC1=CC=C(COC2=CC=C3CCC(C3=C2)=O)C=C1 | 5 |
[F:1][C:2]1[CH:3]=[C:4]([OH:11])[CH:5]=[CH:6][C:7]=1[N+:8]([O-:10])=[O:9].[C:12](=O)([O-])[O-].[K+].[K+].CI.ClCCl>CC(C)=O>[F:1][C:2]1[CH:3]=[C:4]([O:11][CH3:12])[CH:5]=[CH:6][C:7]=1[N+:8]([O-:10])=[O:9] | 1 |
FC1=C(C=CC(=C1)F)C1=C(N=C(N1)C1(CC1)C(=O)OC)C1=CC=C2C(=N1)OC(=N2)N[C@H](COCC)C>C1CCCO1.C(C)OCC.[BH4-].[Li+]>FC1=C(C=CC(=C1)F)C1=C(N=C(N1)C1(CC1)CO)C1=CC=C2C(=N1)OC(=N2)N[C@H](COCC)C | 3 |
[CH3:1][C:2]([CH3:29])([CH3:28])[CH:3]([C:18]1[CH:27]=[CH:26][C:21]([C:22]([O:24][CH3:25])=[O:23])=[CH:20][CH:19]=1)[C:4]1[CH:9]=[CH:8][C:7]([C:10]#[C:11][C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][N:13]=2)=[CH:6][CH:5]=1>C(O)C.[Pd]>[CH3:1][C:2]([CH3:29])([CH3:28])[CH:3]([C:18]1[CH:19]=[CH:20][C:21]([C:22]([O:24][CH3:25])=[O:23])=[CH:26][CH:27]=1)[C:4]1[CH:5]=[CH:6][C:7]([CH2:10][CH2:11][C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][N:13]=2)=[CH:8][CH:9]=1 | 2 |
[Br:1][C:2]1[C:3]([O:20][C:21]2[C:26]([F:27])=[CH:25][CH:24]=[CH:23][C:22]=2[F:28])=[CH:4][C:5]([NH:8][C:9]([NH:11]C(=O)C2C=CC=CC=2)=[S:10])=[N:6][CH:7]=1.[OH-].[Na+]>C(O)C>[Br:1][C:2]1[C:3]([O:20][C:21]2[C:22]([F:28])=[CH:23][CH:24]=[CH:25][C:26]=2[F:27])=[CH:4][C:5]([NH:8][C:9]([NH2:11])=[S:10])=[N:6][CH:7]=1 | 1 |
N1C=NC2=C1C=C(C=C2)C2=NOC(=N2)C=2C=CC(=C(C=O)C2)OC(C(F)(F)F)C>O.CC(C)(C)O.Cl(=O)[O-].[Na+].CC(C)=CC.P(=O)(O)(O)[O-].[K+]>Cl.N1C=NC2=C1C=CC(=C2)C2=NOC(=N2)C=2C=CC(=C(C(=O)O)C2)OC(C(F)(F)F)C | 3 |
C(C1=CC=CC=C1)NC([C@H](C(CC1=CC=CC=C1)NC([C@H](CC1=CC=C(C=C1)OC)NC([C@H](C)NS(=O)(=O)C=1C(=CC=CC1)C)=O)=O)O)=O>>C(C1=CC=CC=C1)NC(C([C@H](CC1=CC=CC=C1)NC([C@H](CC1=CC=C(C=C1)OC)NC([C@H](C)NS(=O)(=O)C=1C(=CC=CC1)C)=O)=O)=O)=O | 5 |
C(C1=CC=CC=C1)OCC(C)(C)C1=NN2C(=C(C(=C(C2=O)C2=CC=CC=C2)C)C#N)N1>>C(C1=CC=CC=C1)OCC(C)(C)C1=NN2C(C(=C(C(=C2Cl)C2=CC=CC=C2)C)C#N)=N1 | 5 |
C(O)[C:2]([NH2:7])([CH2:5]O)CO.Cl.[N+](C1C=CC(SSC2C=CC([N+]([O-])=O)=C(C=2)C(O)=O)=CC=1C(O)=O)([O-])=O.C(SCCN[C:43](=O)[CH2:44][CH2:45][NH:46][C:47](=[O:85])[C@H:48](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@@H](N2C3N=CN=C(N)C=3N=C2)[C@H](O)[C@@H]1OP(O)(O)=O)(=O)C.NCCCCCN>>[C:47]([NH:46][CH2:45][CH2:44][CH2:43][CH2:5][CH2:2][NH2:7])(=[O:85])[CH3:48] | 1 |
C(=O)(OC(C)(C)C)N[C@H](C(C)C)C(=O)O.ClC1=CC=C(C=C1)N1C(CNCC1)(C)C>>ClC1=CC=C(C=C1)N1C(CN(CC1)C([C@@H](C(C)C)NC(OC(C)(C)C)=O)=O)(C)C | 5 |
C1(CC(CCC1)=O)=O.CC1=NNC2=CC=C(C=C12)\C=C(/C#N)\C(C)=O>>CC=1NC=2CCCC(C2C(C1C#N)C=1C=C2C(=NNC2=CC1)C)=O | 5 |
C1(CCC(=O)O1)=O.ClC=1C=C(C(=N)NO)C=CC1>>ClC=1C=C(C=CC1)C1=NOC(=N1)CCC(=O)O | 5 |
C1(CC1)C(=O)Cl.CNC1=CC=C(C=C1)[N+](=O)[O-]>C1CCCO1.c1ccncc1>CC1C(C1)(C(=O)N)C1=CC=C(C=C1)[N+](=O)[O-] | 3 |
[Na].C(CC(=O)C(=O)OCC)(=O)OCC>CCO[H].C(C)(=O)O.COC(N(C)C)OC>C(C)OC(C(C(C(=O)OCC)=O)=CN(C)C)=O | 3 |
C(C(=O)OCC)(=O)OCC.C1(CC1)C(=O)CC>ClCCl.CCO[H].CC[O-].[Na+]>C1(CC1)C1=C(C(=NN1)C(=O)OCC)C | 3 |
C(C1=CC=CC=C1)OC(=O)N1CCC(CC1)CNC1=CC(=NC=C1)C(=O)O>C1CCCO1.B.C1CCOC1>C(C1=CC=CC=C1)OC(=O)N1CCC(CC1)CNC1=CC(=NC=C1)CO | 3 |
ClC1=CC=C(C(N)=NO)C=C1.C12(CC3CC(CC(C1)C3)C2)CC(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>C12(CC3CC(CC(C1)C3)C2)CC2=NC(=NO2)C2=CC=C(C=C2)Cl | 3 |
[OH:1][C:2]([CH3:36])([CH3:35])[CH2:3][C@:4]1([C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)[CH2:10][CH2:9][CH2:8][N:7]([C@H:11]([C:13]2[CH:18]=[CH:17][C:16](B3OC(C)(C)C(C)(C)O3)=[CH:15][CH:14]=2)[CH3:12])[C:6](=[O:28])[NH:5]1.Br[C:38]1[CH:43]=[CH:42][N:41]([CH3:44])[C:40](=[O:45])[CH:39]=1.C([O-])([O-])=O.[Na+].[Na+]>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.O1CCOCC1>[OH:1][C:2]([CH3:35])([CH3:36])[CH2:3][C@:4]1([C:29]2[CH:30]=[CH:31][CH:32]=[CH:33][CH:34]=2)[CH2:10][CH2:9][CH2:8][N:7]([C@H:11]([C:13]2[CH:14]=[CH:15][C:16]([C:38]3[CH:43]=[CH:42][N:41]([CH3:44])[C:40](=[O:45])[CH:39]=3)=[CH:17][CH:18]=2)[CH3:12])[C:6](=[O:28])[NH:5]1 | 1 |
[NH2:1][C:2]1[N:11]=[C:10]([NH2:12])[C:9]2[C:4](=[CH:5][CH:6]=[C:7]([CH:14]=[N:15][C:16]3[CH:21]=[C:20]([O:22][CH3:23])[C:19]([O:24][CH3:25])=[C:18]([O:26][CH3:27])[CH:17]=3)[C:8]=2[CH3:13])[N:3]=1>O1CCCC1.O>[CH3:13][C:8]1[C:9]2[C:10]([NH2:12])=[N:11][C:2]([NH2:1])=[N:3][C:4]=2[CH:5]=[CH:6][C:7]=1[CH2:14][NH:15][C:16]1[CH:21]=[C:20]([O:22][CH3:23])[C:19]([O:24][CH3:25])=[C:18]([O:26][CH3:27])[CH:17]=1 | 1 |
C(Cl)CCl.[NH:5]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[C@H:6]([C:8]([OH:10])=O)[CH3:7].[CH3:18][O:19][C:20](=[O:26])[C@H:21]([CH:23]([CH3:25])[CH3:24])[NH2:22].C(N(CC)CC)C>C(Cl)(Cl)Cl>[NH:5]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[C@H:6]([C:8]([NH:22][C@H:21]([C:20]([O:19][CH3:18])=[O:26])[CH:23]([CH3:25])[CH3:24])=[O:10])[CH3:7] | 1 |
[O:1]=[C:2]1[CH2:6][CH2:5][CH2:4][N:3]1[CH2:7][C:8]([OH:10])=O.C(N(CC)CC)C.ClC(OCC(C)C)=O.Cl.[CH3:27][O:28][C:29](=[O:32])[CH2:30][NH2:31]>CN(C)C=O>[CH3:27][O:28][C:29](=[O:32])[CH2:30][NH:31][C:8](=[O:10])[CH2:7][N:3]1[CH2:4][CH2:5][CH2:6][C:2]1=[O:1] | 1 |
FC1=CC=C(C=C1)C(C#N)(C)C>C1CCCO1.[OH-].[Na+].[H-].[Al+3].[Li+].[H-].[H-].[H-]>FC1=CC=C(C=C1)C(CN)(C)C | 3 |
C(=O)(OC(C)(C)C)N1CCC(CC1)(CO)NS(=O)(=O)C=1SC(=CC1)Cl>Cl.C(C)(=O)OCC>OCC1(CCNCC1)NS(=O)(=O)C=1SC(=CC1)Cl | 3 |
[NH:1]1[CH2:6][CH2:5][O:4][CH2:3][CH2:2]1.[I-].[K+].[CH3:9][C:10]1[CH:15]=[C:14]([CH3:16])[CH:13]=[CH:12][C:11]=1[N:17]([CH2:31][CH:32]([CH3:34])[CH3:33])[S:18]([C:21]1[CH:26]=[CH:25][C:24]([O:27][CH2:28][CH2:29]O)=[CH:23][CH:22]=1)(=[O:20])=[O:19].O>CO>[CH3:9][C:10]1[CH:15]=[C:14]([CH3:16])[CH:13]=[CH:12][C:11]=1[N:17]([CH2:31][CH:32]([CH3:33])[CH3:34])[S:18]([C:21]1[CH:22]=[CH:23][C:24]([O:27][CH2:28][CH2:29][N:1]2[CH2:6][CH2:5][O:4][CH2:3][CH2:2]2)=[CH:25][CH:26]=1)(=[O:20])=[O:19] | 1 |
OC[C@@H]1N(CCC1)CCC=1NC(C2=CC=CC(=C2C1)C)=O.C(C)O.C([C@@H](O)[C@H](O)C(=O)O)(=O)O>CCO[H]>O.C(=O)(O)[C@@H](O)[C@H](O)C(=O)O.OC[C@@H]1N(CCC1)CCC=1NC(C2=CC=CC(=C2C1)C)=O | 3 |
[CH2:1]([O:3][C:4](=[O:9])[C:5]([OH:8])([CH3:7])[CH3:6])[CH3:2].[H-].[Na+].[CH2:12](Br)[CH:13]=[CH2:14].[Cl-].[NH4+]>CN(C)C=O.C(OCC)C>[CH2:1]([O:3][C:4](=[O:9])[C:5]([O:8][CH2:14][CH:13]=[CH2:12])([CH3:7])[CH3:6])[CH3:2] | 1 |
CN1[C@H](C(=O)O)CCC1.OC(=O)C(F)(F)F.FC1=C(OC2CCN(CC2)C=2N=C3C(=NC2NC(C)C)CNCC3)C=CC(=C1)F>>FC1=C(OC2CCN(CC2)C=2N=C3C(=NC2NC(C)C)CN(CC3)C([C@H]3N(CCC3)C)=O)C=CC(=C1)F | 5 |
BrC=1C=C(N)C=CC1.COC=1C=C(C=CC1OC)B(O)O>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>COC=1C=C(C=CC1OC)C1=CC(=CC=C1)N | 3 |
ClC1=C(C=CC=C1)S(=O)(=O)Cl.CC1CCN(CC1)C(C(CCC1=CC=CC=C1)N)=O>ClCCl.C(C)(C)N(C(C)C)CC>ClC1=C(C=CC=C1)S(=O)(=O)NC(CCC1=CC=CC=C1)C(=O)N1CCC(CC1)C | 3 |
C(C)(C)(C)OC(=O)NC1=C(C=C(C=C1)Cl)C=1C=C2C(=NC1)C(CC2)(C(=O)OCC)CCOC>CO[H].[OH-].[Li+]>C(C)(C)(C)OC(=O)NC1=C(C=C(C=C1)Cl)C=1C=C2C(=NC1)C(CC2)(C(=O)O)CCOC | 3 |
FC(C=1C=NN(C1)C1=CC=C(C=C1)NC(CCC)C1=CC=C(C(=O)NCCC(=O)OCC)C=C1)(F)F>>FC(C=1C=NN(C1)C1=CC=C(C=C1)NC(CCC)C1=CC=C(C(=O)NCCC(=O)O)C=C1)(F)F | 5 |
CO[NH3+].[Cl-].ClC=1C=CC(=C(C1)C1=C2C(=NC=C1)C(=CS2)C(=O)O)OCCN2C(=NC1=C(C=C(C(=C1C2=O)C#N)C(F)F)F)C>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=CC(=C(C1)C1=C2C(=NC=C1)C(=CS2)C(=O)NOC)OCCN2C(=NC1=C(C=C(C(=C1C2=O)C#N)C(F)F)F)C | 3 |
COC=1C(C(=C(C(C1OC)=O)CC=1C=CC(=C(C(=O)NC2=CC(=CC=C2)C(F)(F)F)C1)OC(C)=O)C)=O>>COC=1C(C(=C(C(C1OC)=O)CC=1C=CC(=C(C(=O)NC2=CC(=CC=C2)C(F)(F)F)C1)O)C)=O | 5 |
N1=C(C=CC=C1)N1CCNCC1.C(C1=CC=CC=C1)NC(CCl)=O>C([O-])([O-])=O.[Na+].[Na+].CN(C=O)C.O>C(C1=CC=CC=C1)NC(CN1CCN(CC1)C1=NC=CC=C1)=O | 3 |
FC1=CC=C2C(=CN(C2=C1)S(=O)(=O)C1=CC=CC=C1)I.CN1N=CC(=C1C(F)(F)F)C1=CN(C2=CC=CC=C12)S(=O)(=O)C1=CC=CC=C1>>CN1N=CC(=C1C(F)(F)F)C1=CNC2=CC=CC=C12 | 3 |
[H-].[Na+].CN(C)C=O.[I:8][C:9]1[CH:10]=[N:11][NH:12][CH:13]=1.Br[CH2:15][CH2:16][O:17][CH:18]1[CH2:23][CH2:22][CH2:21][CH2:20][O:19]1>O>[I:8][C:9]1[CH:10]=[N:11][N:12]([CH2:15][CH2:16][O:17][CH:18]2[CH2:23][CH2:22][CH2:21][CH2:20][O:19]2)[CH:13]=1 | 2 |
C(C)(=O)SC(CC(=O)NCC(=O)O)C(CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)NC>CO[H].N>SC(CC(=O)NCC(=O)O)C(CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)NC | 3 |
[NH2:1][CH2:2][CH2:3][CH2:4][C:5]#[C:6][C:7]1[C:8]([NH:22][CH2:23][CH2:24][CH3:25])=[N:9][C:10]([NH:13][C:14]2[CH:19]=[CH:18][C:17]([C:20]#[N:21])=[CH:16][CH:15]=2)=[N:11][CH:12]=1.[C:26]([O:30][C:31]([N:33]([CH3:39])[C@H:34]([C:36](O)=[O:37])[CH3:35])=[O:32])([CH3:29])([CH3:28])[CH3:27].Cl.C(N=C=NCCCN(C)C)C.O.ON1C2C=CC=CC=2N=N1.C(=O)([O-])O.[Na+]>CN(C)C=O.C(N(CC)C(C)C)(C)C.C(OCC)(=O)C>[C:20]([C:17]1[CH:16]=[CH:15][C:14]([NH:13][C:10]2[N:9]=[C:8]([NH:22][CH2:23][CH2:24][CH3:25])[C:7]([C:6]#[C:5][CH2:4][CH2:3][CH2:2][NH:1][C:36](=[O:37])[C@@H:34]([N:33]([CH3:39])[C:31](=[O:32])[O:30][C:26]([CH3:27])([CH3:29])[CH3:28])[CH3:35])=[CH:12][N:11]=2)=[CH:19][CH:18]=1)#[N:21] | 2 |
BrC1C=CC2SC(CCCO)=C(C)C=2C=1.[F:16][C:17]([F:35])([F:34])[C:18]1[CH:33]=[CH:32][C:21]2[CH:22]=[C:23]([CH2:25][CH2:26][C:27](OCC)=[O:28])[S:24][C:20]=2[CH:19]=1>>[F:34][C:17]([F:16])([F:35])[C:18]1[CH:33]=[CH:32][C:21]2[CH:22]=[C:23]([CH2:25][CH2:26][CH2:27][OH:28])[S:24][C:20]=2[CH:19]=1 | 2 |
BrCCCCC(C)(C1C=CC(C)=CC=1)CO.[Br:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:23]([CH3:30])([CH3:29])[C:24](OCC)=[O:25].[Li+].[BH4-].CO>ClCl>[Br:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:23]([CH3:30])([CH3:29])[CH2:24][OH:25] | 2 |
[C:1]([C:4]1[CH:19]=[CH:18][C:7]([CH2:8][N:9]2[CH2:14][CH2:13][N:12]([C:15](=[O:17])[CH3:16])[CH2:11][CH2:10]2)=[CH:6][CH:5]=1)(=[O:3])[CH3:2].C([O:24][C:25](=[O:36])/[CH:26]=[CH:27]/[C:28]1[CH:33]=[CH:32][C:31]([CH:34]=O)=[CH:30][N:29]=1)(C)(C)C.[OH-].[K+]>CCO>[C:15]([N:12]1[CH2:13][CH2:14][N:9]([CH2:8][C:7]2[CH:18]=[CH:19][C:4]([C:1](=[O:3])/[CH:2]=[CH:34]/[C:31]3[CH:32]=[CH:33][C:28](/[CH:27]=[CH:26]/[C:25]([OH:36])=[O:24])=[N:29][CH:30]=3)=[CH:5][CH:6]=2)[CH2:10][CH2:11]1)(=[O:17])[CH3:16] | 1 |
N1CCC2=CC=CC=C12.CC(C)(C)OC(=O)N[C@H](/C=C/C(=O)O)CC>ClCCl.CCN(CC)CC.C(C)(=O)OCC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>N1(CCC2=CC=CC=C12)C(/C=C/[C@H](CC)NC(OC(C)(C)C)=O)=O | 3 |
COC(C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O.CC1=CN(C2=CC(=CC=C12)C=O)CCCC1=CC=CC=C1>>CC1=CN(C2=CC(=CC=C12)C=CC(=O)OC)CCCC1=CC=CC=C1 | 5 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([CH2:9][CH2:10][C:11]([O:13][CH3:14])=[O:12])=[C:5]([F:15])[CH:4]=1)#[CH:2].I[C:17]1[CH:18]=[C:19]([CH:22]=[CH:23][C:24]=1[CH3:25])[C:20]#[N:21]>>[C:20]([C:19]1[CH:18]=[CH:17][C:24]([CH3:25])=[C:23]([C:2]#[C:1][C:3]2[CH:8]=[CH:7][C:6]([CH2:9][CH2:10][C:11]([O:13][CH3:14])=[O:12])=[C:5]([F:15])[CH:4]=2)[CH:22]=1)#[N:21] | 2 |
BrC1=CC=C(C=O)C=C1.N1(CCCCC1)C=1C=CC2=C(C=C(O2)B(O)O)C1>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].CCN(CC)CC.CCO[H]>N1(CCCCC1)C=1C=CC2=C(C=C(O2)C2=CC=C(C=O)C=C2)C1 | 3 |
ClC=1C=C2C=C(N(C2=CC1)C1=CC(=CC=C1)C(F)(F)F)C(CCCCCC)NC1=CC=C(C=C1)C(=O)N(CCC(=O)OCC)C>>ClC=1C=C2C=C(N(C2=CC1)C1=CC(=CC=C1)C(F)(F)F)C(CCCCCC)NC1=CC=C(C=C1)C(=O)N(CCC(=O)O)C | 5 |
[CH3:1][O:2][C:3]([C@H:5]1[N:9]2[C:10](=[O:31])[C:11]([NH:28][CH:29]=[O:30])=[C:12]([CH2:17][C:18]3[C:27]4[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=4)[CH:21]=[CH:20][CH:19]=3)[C:13]([CH:14]3[CH2:16][CH2:15]3)=[C:8]2[S:7][CH2:6]1)=[O:4].CO[C:34]([C@H:36]1N2C(=O)C(N)=C(CC3C4C(=CC=CC=4)C=CC=3)C(C3C=CC=CC=3)=C2S[CH2:37]1)=O.C(CC(OC(=O)CC=O)=O)=O>N1C=CC=CC=1.C(Cl)Cl>[CH3:1][O:2][C:3]([C@H:5]1[N:9]2[C:10](=[O:31])[C:11]([NH:28][CH:29]=[O:30])=[C:12]([CH2:17][C:18]3[C:27]4[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=4)[CH:21]=[CH:20][CH:19]=3)[C:13]([C:14]3[CH:16]=[CH:37][CH:36]=[CH:34][CH:15]=3)=[C:8]2[S:7][CH2:6]1)=[O:4] | 2 |
C1(S(O)(=O)=O)C2C=CC=C(S(O)(=O)=O)C=2C=CC=1.[CH3:19][NH:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][N:29]1[CH2:33][CH2:32][C@@H:31]([C:34]([C:44]2[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=2)([C:38]2[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=2)[C:35]([NH2:37])=[O:36])[CH2:30]1>C(O)(C)C>[CH3:19][NH:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][N:29]1[CH2:33][CH2:32][C@@H:31]([C:34]([C:44]2[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=2)([C:38]2[CH:39]=[CH:40][CH:41]=[CH:42][CH:43]=2)[C:35]([NH2:37])=[O:36])[CH2:30]1 | 1 |
CP(OCC)(OCC)=O.C1(CC1)S(=O)(=O)NC12CCC(CC1)(CC2)C(=O)OC>>C(C)OP(OCC)(=O)CC12CCC(CC1)(CC2)NS(=O)(=O)C2CC2 | 5 |
C(OC([NH:8][C:9](=[NH:32])[NH:10][C:11]([C:13]1[CH:18]=[CH:17][CH:16]=[C:15]([P:19]([C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[N:14]=1)=[O:12])=O)(C)(C)C.COC1C=CC=C(OC)C=1.C(Cl)Cl.CO.C(N(CC)CC)C>FC(F)(F)C(O)=O>[C:26]1([P:19]([C:20]2[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=2)[C:15]2[N:14]=[C:13]([C:11]([NH:10][C:9]([NH2:32])=[NH:8])=[O:12])[CH:18]=[CH:17][CH:16]=2)[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=1 | 2 |
[Br-].C(=O)(O)CCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.FC1=C(C=O)C=CC=C1OC>>FC1=C(C=CC=C1OC)C=CCCC(=O)O | 5 |
FC=1C(=C(C=CC1)O)C>>FC1=C(C(=C(C=O)C=C1)O)C | 5 |
Cl(=O)(=O)[O-].[Na+].Cl.BrC=1C=CC=2C3=C(C=NC2C1)N=C(N3CCCCCSC(N)=N)COCC>>BrC=1C=CC=2C3=C(C=NC2C1)N=C(N3CCCCCS(=O)(=O)Cl)COCC | 5 |
C(C)N=C=O.ClC1=NC=C(C(=N1)NC1=C(C=CC=C1)S(=O)(=O)C(C)C)Cl>O.ClCCl.CCN(CC)CC>ClC=1C(=NC(=NC1)NC=1C=C(CCNC(=O)NCC)C=CC1OC)NC1=C(C=CC=C1)S(=O)(=O)C(C)C | 3 |
COCCNC.ClC1=CC=C(C=N1)C(C#N)C>>COCCNC1=CC=C(C=N1)C(C#N)C | 5 |
Cl[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][N:3]=1.[CH2:8]([C:15]#[N:16])[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1>>[N:3]1[CH:4]=[CH:5][CH:6]=[CH:7][C:2]=1[CH:8]([C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)[C:15]#[N:16] | 1 |
C(C)OC(CC1=CC=C(C=C1)N)=O.ClC1=CC(=NC(=C1)C1CC1)C1=CC(=CC=C1)Cl>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>ClC=1C=C(C=CC1)C1=NC(=CC(=C1)NC1=CC=C(C=C1)CC(=O)OCC)C1CC1 | 3 |
ClCC#N.ClC=1C(=C(C(=C(C1)C(C)=O)OC)C=1C=NNC1)C>>C(C)(=O)C=1C(=C(C(=C(C1)Cl)C)C=1C=NN(C1)CC#N)OC | 5 |
BrC1=CC(=C(C=C1F)N1C(CCC1)=O)F>C1(=CC=CC=C1)C.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.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)(=O)[O-].[K+]>FC1=C(C=C(C(=C1)B1OC(C(O1)(C)C)(C)C)F)N1C(CCC1)=O | 3 |
CN.BrC1=NN(C(=C1)C1=NC2=C(C(O1)=O)C=C(C=C2C)Cl)C2=NC=CC=C2Cl>>BrC1=NN(C(=C1)C(=O)NC1=C(C=C(C=C1C(=O)NC)Cl)C)C1=NC=CC=C1Cl | 5 |
[CH3:1][C:2]1[CH:9]=[CH:8][CH:7]=[C:6]([NH:10][C:11]([O:13][CH3:14])=[O:12])[C:3]=1[CH2:4]O.S(Cl)([Cl:17])=O>C(Cl)Cl>[CH3:1][C:2]1[CH:9]=[CH:8][CH:7]=[C:6]([NH:10][C:11]([O:13][CH3:14])=[O:12])[C:3]=1[CH2:4][Cl:17] | 1 |
[Br:1][C:2]1[CH:3]=[C:4]([C:9]2[C:10]([C:14]3[CH:19]=[CH:18][CH:17]=[C:16]([CH3:20])[N:15]=3)=[N:11][NH:12][CH:13]=2)[CH:5]=[CH:6][C:7]=1[F:8].[H-].[Na+].I[CH3:24].[Cl-].[NH4+]>CN(C)C=O>[Br:1][C:2]1[CH:3]=[C:4]([C:9]2[C:10]([C:14]3[CH:19]=[CH:18][CH:17]=[C:16]([CH3:20])[N:15]=3)=[N:11][N:12]([CH3:24])[CH:13]=2)[CH:5]=[CH:6][C:7]=1[F:8] | 2 |
Cl[C:2]1[N:3]=[N:4][CH:5]=[C:6](Cl)[C:7]=1[Cl:8].Cl.[F:11][C:12]1[CH:17]=[CH:16][C:15]([CH:18]2[CH2:20][CH:19]2[CH2:21][NH:22][CH2:23][CH3:24])=[CH:14][CH:13]=1.C(=O)([O-])[O-].[K+].[K+].[NH2:31][NH2:32]>O1CCOCC1.C(OCC)(=O)C.O>[Cl:8][C:7]1[C:6]([N:22]([CH2:23][CH3:24])[CH2:21][CH:19]2[CH2:20][CH:18]2[C:15]2[CH:14]=[CH:13][C:12]([F:11])=[CH:17][CH:16]=2)=[CH:5][N:4]=[N:3][C:2]=1[NH:31][NH2:32] | 2 |
C(C1=CC=CC=C1)OC1=NC(=CC=C1C1=NN(C2=C(C=CC=C12)Br)C)OCC1=CC=CC=C1.C[C@@H]1CN(CCN1CC1CCNCC1)C(=O)OC(C)(C)C>O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].ClC1=CN=CC=C1.C(CC(CCC)C2=C(C(=CC=C2)C(CCC)CCC)N4C(=C(N(C3=C(C=CC=C3C(CCC)CCC)C(CCC)CCC)C4=[Pd](Cl)Cl)Cl)Cl)C>C(C1=CC=CC=C1)OC1=NC(=CC=C1C1=NN(C2=C(C=CC=C12)N1CCC(CC1)CN1[C@@H](CN(CC1)C(=O)OC(C)(C)C)C)C)OCC1=CC=CC=C1 | 3 |
ClCC1=CC=C(C=C1)C1=CC=CC=C1.Cl.C1=C(C=CC2=CC=CC=C12)CN1C=NC=2N=C(NC(C12)=O)N>>NC1=NC(C=2N(C=NC2N1CC1=CC=C(C=C1)C1=CC=CC=C1)CC1=CC2=CC=CC=C2C=C1)=O | 5 |
C1(=C(C=CC=C1)[C@@H](C)O)C.C(C)OC(=O)C1(CC1)C1=CC=C(C=C1)C1=CC=C(C=C1)C=1SC(=CC1C(N)=O)Cl>C1(=CC=CC=C1)C.c1ccncc1.C1=CC=C(C=C1)I(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F>C(C)OC(=O)C1(CC1)C1=CC=C(C=C1)C1=CC=C(C=C1)C=1SC(=CC1NC(=O)O[C@H](C)C1=C(C=CC=C1)C)Cl | 3 |
NC=1C2=C(N=CN1)N(C=C2)[C@@H]2C[C@]([C@@H]1[C@H]2OC(O1)(C)C)(C)CCC1=CC(=C2C=CC(=NC2=C1)N)F>C1CCCO1.Cl>NC1=NC2=CC(=CC(=C2C=C1)F)CC[C@@]1([C@H]([C@H]([C@@H](C1)N1C=CC2=C1N=CN=C2N)O)O)C | 3 |
[NH2:1][CH2:2][C:3]1[C:4]([F:21])=[C:5]([O:10][C:11]2[CH:12]=[C:13]([CH:16]=[C:17]([O:19][CH3:20])[CH:18]=2)[C:14]#[N:15])[C:6]([Cl:9])=[CH:7][CH:8]=1.[Cl:22][C:23]1[N:24]=[CH:25][N:26](COCC[Si](C)(C)C)[C:27]=1[C:28](O)=[O:29]>>[Cl:22][C:23]1[N:24]=[CH:25][NH:26][C:27]=1[C:28]([NH:1][CH2:2][C:3]1[CH:8]=[CH:7][C:6]([Cl:9])=[C:5]([O:10][C:11]2[CH:18]=[C:17]([O:19][CH3:20])[CH:16]=[C:13]([C:14]#[N:15])[CH:12]=2)[C:4]=1[F:21])=[O:29] | 1 |
O=C(CSCC(=O)OC)C1=CC2=C(NC(N2)=O)C=C1>>O=C(CSCC(=O)O)C1=CC2=C(NC(N2)=O)C=C1 | 5 |
C1(=CC=CC=C1)CCN.C(#N)N(C(SC)=N)C1=CC=C(C=C1)C=1C(CC(NN1)=O)C>c1ccncc1>C(CC1=CC=CC=C1)NC(NC1=CC=C(C=C1)C=1C(CC(NN1)=O)C)=NC#N | 3 |
C(C)(C)(C)OC(=O)NCC1CNCCC1.C(C1=CC=C(C=C1)OC)(=O)C(C(C(=O)O)(O)C(C1=CC=C(C=C1)OC)=O)(O)C(=O)O>>N1C[C@@H](CCC1)CNC(OC(C)(C)C)=O | 5 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)N1CC(C1)O>C1(=CC=C(C=C1)S(=O)(=O)Cl)C>C(C1=CC=CC=C1)(C1=CC=CC=C1)N1CC(C1)OS(=O)(=O)C1=CC=C(C)C=C1 | 3 |
COC(=O)[NH:4][C:5]12[CH2:12][CH2:11][C:8]([C:13]3[NH:21][C:20]4[C:19](=[O:22])[N:18]([CH2:23][CH2:24][CH3:25])[C:17](=[O:26])[N:16]([CH2:27][CH2:28][CH3:29])[C:15]=4[N:14]=3)([CH2:9][CH2:10]1)[CH2:7][CH2:6]2>Cl>[NH2:4][C:5]12[CH2:12][CH2:11][C:8]([C:13]3[NH:21][C:20]4[C:19](=[O:22])[N:18]([CH2:23][CH2:24][CH3:25])[C:17](=[O:26])[N:16]([CH2:27][CH2:28][CH3:29])[C:15]=4[N:14]=3)([CH2:9][CH2:10]1)[CH2:7][CH2:6]2 | 1 |
Br[C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([O:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[CH:3]=1.[Li]CCCC.C(OC([N:27]1[CH2:31][CH2:30][CH2:29][C:28]1=O)=O)(C)(C)C>C1COCC1>[O:8]([C:4]1[CH:3]=[C:2]([C:28]2[CH2:29][CH2:30][CH2:31][N:27]=2)[CH:7]=[CH:6][CH:5]=1)[C:9]1[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=1 | 1 |
C(C)(C)(C)[Si](C)(C)Cl.C(C1=CC=CC=C1)OC1=C2CCCC2=CC=C1CC(CO)O>N(C)(C)C=O.c1cnc[nH]1>C(C1=CC=CC=C1)OC1=C2CCCC2=CC=C1CC(CO[Si](C)(C)C(C)(C)C)O | 3 |
COC1=CC(=C(C=O)C=C1OC)F.ClC1=CC2=C(NC(=N2)CCl)C=C1Cl>N(C)(C)C=O.[H-].[Na+]>ClC1=CC2=C(N=C(N2)COC2=CC(=C(C=O)C=C2OC)F)C=C1Cl | 3 |
C(C)(C)(C)[C@H](NC(COCCOCCOCCNC)=O)C(=O)N1[C@@H](C[C@H](C1)O)C(=O)N[C@@H](C)C1=CC=C(C=C1)C1=C(N=CS1)C.C(N)(=O)N1CCN(CC1)C1=NC(=NC2=C(C(=C(C=C12)Cl)C1=CC(=CC2=CC=CC=C12)O)F)NCCC(=O)O>N(C)(C)C=O.O.C(C)(=O)OCC.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=C2C(=NC(=NC2=C(C1C1=CC(=CC2=CC=CC=C12)O)F)NCCC(N(CCOCCOCCOCC(N[C@@H](C(C)(C)C)C(=O)N1[C@@H](C[C@H](C1)O)C(N[C@@H](C)C1=CC=C(C=C1)C1=C(N=CS1)C)=O)=O)C)=O)N1CCN(CC1)C(=O)N | 3 |
[CH2:1]([O:3][C:4]([N:6]1[CH2:11][CH2:10][CH:9]([C:12]2[C:20]3[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=3)[NH:14][CH:13]=2)[CH2:8][CH2:7]1)=[O:5])[CH3:2].Br[CH2:22][CH2:23][CH2:24][O:25][C:26]1[CH:34]=[CH:33][C:29]2[O:30][CH2:31][O:32][C:28]=2[CH:27]=1>>[CH2:1]([O:3][C:4]([N:6]1[CH2:11][CH2:10][CH:9]([C:12]2[C:20]3[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=3)[N:14]([CH2:22][CH2:23][CH2:24][O:25][C:26]3[CH:34]=[CH:33][C:29]4[O:30][CH2:31][O:32][C:28]=4[CH:27]=3)[CH:13]=2)[CH2:8][CH2:7]1)=[O:5])[CH3:2] | 1 |
ClC1=NC(=NC(=C1)N1C(CCC1)C)SC>>BrC=1C(=NC(=NC1N1C(CCC1)C)SC)Cl | 5 |
CCC(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]>O.[Fe].C(C)(=O)O.C(O)([O-])=O.[Na+]>NC1=C(C=CC(=C1)Cl)C(C)=O | 3 |
[OH:1][CH2:2][CH2:3][CH2:4][C:5]1[CH:10]=[CH:9][C:8]([C@H:11]2[CH2:28][C@@:26]3([CH3:27])[C@@H:22]([CH2:23][CH2:24][C:25]3=[O:29])[C@H:21]3[C:12]2=[C:13]2[C:18]([CH2:19][CH2:20]3)=[CH:17][C:16](=[O:30])[CH2:15][CH2:14]2)=[CH:7][CH:6]=1.[Cl-].[S:32](=[CH2:35])(=[O:34])=[O:33]>C(Cl)Cl>[CH3:35][S:32]([O:1][CH2:2][CH2:3][CH2:4][C:5]1[CH:6]=[CH:7][C:8]([C@H:11]2[CH2:28][C@@:26]3([CH3:27])[C@@H:22]([CH2:23][CH2:24][C:25]3=[O:29])[C@H:21]3[C:12]2=[C:13]2[C:18]([CH2:19][CH2:20]3)=[CH:17][C:16](=[O:30])[CH2:15][CH2:14]2)=[CH:9][CH:10]=1)(=[O:34])=[O:33] | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)CO.ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.BrC1=C(N)C=CC=C1>>BrC1=C(C=CC=C1)NC(=O)OCC1CCN(CC1)C(=O)OC(C)(C)C | 5 |
C(C)C=1C=CC=C2C=CC=C(C12)N1CC=2N=C(N=C(C2CC1)C1=CC2CCC(C1)N2C(=O)OC(C)(C)C)OC[C@]21CCCN1C[C@@H](C2)F>CO[H].[HH].[OH-].[Pd+2].[OH-]>C(C)(C)(C)OC(=O)N1[C@H]2CC(C[C@@H]1CC2)C=2C1=C(N=C(N2)OC[C@]23CCCN3C[C@@H](C2)F)CN(CC1)C1=CC=CC2=CC=CC(=C12)CC | 3 |
C(C1=CC=CC=C1)Br.CC(C)(C)S(=O)NC(C(F)(F)F)(C(C(N1CCCCC1)=O)(F)F)C1=CC=C(C=C1)OCCCC(F)(F)F>N(C)(C)C=O.[H-].[Na+]>C(C1=CC=CC=C1)N(S(=O)C(C)(C)C)C(C(F)(F)F)(C(C(N1CCCCC1)=O)(F)F)C1=CC=C(C=C1)OCCCC(F)(F)F | 3 |
ClC1=NC=C(C=C1C(O)C1=C(C(=CC=C1C=C)OC)F)Cl>>ClC1=NC=C(C=C1C(=O)C1=C(C(=CC=C1C=C)OC)F)Cl | 5 |
[N+](=O)([O-])C1=C(C=CC=C1)C=1N=C(SC1)NC(CCCCCCC(=O)NOCC1=CC=CC=C1)=O>ClCCl.B(Br)(Br)Br>[N+](=O)([O-])C1=C(C=CC=C1)C=1N=C(SC1)NC(CCCCCCC(=O)NO)=O | 3 |
[C:1]([Br:5])(Br)(Br)Br.[CH:6]1([CH2:9][O:10][C:11]2[CH:16]=[CH:15][C:14](CO)=[CH:13][C:12]=2[O:19][C:20]([F:23])([F:22])[F:21])[CH2:8][CH2:7]1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>C(Cl)(Cl)(Cl)Cl>[Br:5][CH2:1][C:14]1[CH:15]=[CH:16][C:11]([O:10][CH2:9][CH:6]2[CH2:8][CH2:7]2)=[C:12]([O:19][C:20]([F:21])([F:22])[F:23])[CH:13]=1 | 2 |
[CH3:1][O:2][C:3]1[C:11]2[O:10][C:9](=S)[NH:8][C:7]=2[CH:6]=[C:5]([C:13]([O:15][CH3:16])=[O:14])[CH:4]=1.CN(C)C=O.S(Cl)([Cl:24])=O>>[Cl:24][C:9]1[O:10][C:11]2[C:3]([O:2][CH3:1])=[CH:4][C:5]([C:13]([O:15][CH3:16])=[O:14])=[CH:6][C:7]=2[N:8]=1 | 2 |
Cl.[O:2]=[C:3]1[NH:11][C:10]2[C:5](=[N:6][C:7]([C:12]3[CH:13]=[N:14][N:15]4[CH:20]=[CH:19][C:18]([C:21]#[N:22])=[CH:17][C:16]=34)=[N:8][CH:9]=2)[N:4]1[C@H:23]1[CH2:28][CH2:27][CH2:26][NH:25][CH2:24]1.[C:29](OC(=O)C)(=[O:31])[CH3:30]>CN(C=O)C>[C:29]([N:25]1[CH2:26][CH2:27][CH2:28][C@H:23]([N:4]2[C:3](=[O:2])[NH:11][C:10]3[C:5]2=[N:6][C:7]([C:12]2[CH:13]=[N:14][N:15]4[CH:20]=[CH:19][C:18]([C:21]#[N:22])=[CH:17][C:16]=24)=[N:8][CH:9]=3)[CH2:24]1)(=[O:31])[CH3:30] | 1 |
CI.SC=1N(C(=NN1)CCC=O)C1=CC=CC2=CC=CC=C12>>CSC=1N(C(=NN1)CCCO)C1=CC=CC2=CC=CC=C12 | 5 |
[CH2:1]([O:4][C:5]1([CH3:38])[CH2:10][CH2:9][N:8]([C:11]2[N:16]3[N:17]=[C:18]([C:20]4[CH:25]=[CH:24][CH:23]=[C:22](Br)[CH:21]=4)[CH:19]=[C:15]3[N:14]=[C:13]([CH3:27])[C:12]=2[C@H:28]([O:33][C:34]([CH3:37])([CH3:36])[CH3:35])[C:29]([O:31][CH3:32])=[O:30])[CH2:7][CH2:6]1)[CH:2]=[CH2:3].[CH2:39]([C:43]1[CH:48]=[CH:47][CH:46]=[CH:45][C:44]=1B1OC(=O)CN(C)CC(=O)O1)[CH2:40][CH:41]=[CH2:42].C(=O)([O-])[O-].[Na+].[Na+]>CN(C=O)C.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>[CH2:1]([O:4][C:5]1([CH3:38])[CH2:10][CH2:9][N:8]([C:11]2[N:16]3[N:17]=[C:18]([C:20]4[CH:21]=[C:22]([C:44]5[CH:45]=[CH:46][CH:47]=[CH:48][C:43]=5[CH2:39][CH2:40][CH:41]=[CH2:42])[CH:23]=[CH:24][CH:25]=4)[CH:19]=[C:15]3[N:14]=[C:13]([CH3:27])[C:12]=2[C@H:28]([O:33][C:34]([CH3:37])([CH3:36])[CH3:35])[C:29]([O:31][CH3:32])=[O:30])[CH2:7][CH2:6]1)[CH:2]=[CH2:3] | 1 |
[NH4+].[Cl-].C([SiH](CC)CC)C.FC(F)(F)C(O)=O.C(OC(C)=O)(C)C.FC1C=CC(CC2C(O)C3C(C(S(C)(=O)=O)C)=C4C(=C(O[Si](C(C)C)(C(C)C)C(C)C)C=3C2=O)N=CC=C4)=CC=1.[F:64][C:65]1[CH:102]=[CH:101][C:68]([CH2:69][N:70]2[C:82](=[O:83])[C:81]3[C:80]([O:84][Si](C(C)C)(C(C)C)C(C)C)=[C:79]4[C:74]([CH:75]=[CH:76][CH:77]=[N:78]4)=[C:73]([N:95]([CH3:100])[S:96]([CH3:99])(=[O:98])=[O:97])[C:72]=3[CH2:71]2)=[CH:67][CH:66]=1>CO.C(Cl)Cl>[F:64][C:65]1[CH:66]=[CH:67][C:68]([CH2:69][N:70]2[C:82](=[O:83])[C:81]3[C:80]([OH:84])=[C:79]4[C:74]([CH:75]=[CH:76][CH:77]=[N:78]4)=[C:73]([N:95]([CH3:100])[S:96]([CH3:99])(=[O:98])=[O:97])[C:72]=3[CH2:71]2)=[CH:101][CH:102]=1 | 2 |
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