smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[F:1][C:2]1[C:10]([F:11])=[CH:9][C:5]([C:6]([OH:8])=O)=[C:4]([NH:12][C:13]2[CH:18]=[CH:17][C:16]([I:19])=[CH:15][C:14]=2[F:20])[CH:3]=1.C1CN([P+](ON2N=NC3C=CC=CC2=3)(N2CCCC2)N2CCCC2)CC1.F[P-](F)(F)(F)(F)F.CN1CCOCC1.[NH:61]1[CH2:64][CH:63]([NH:65][C:66](=[O:72])[O:67][C:68]([CH3:71])([CH3:70])[CH3:69])[CH2:62]1>CN(C=O)C>[F:1][C:2]1[C:10]([F:11])=[CH:9][C:5]([C:6]([N:61]2[CH2:64][CH:63]([NH:65][C:66](=[O:72])[O:67][C:68]([CH3:70])([CH3:69])[CH3:71])[CH2:62]2)=[O:8])=[C:4]([NH:12][C:13]2[CH:18]=[CH:17][C:16]([I:19])=[CH:15][C:14]=2[F:20])[CH:3]=1 | 1 |
[CH:1]([CH:3]=[CH2:4])=[O:2].[CH:5]1[CH2:9][CH:8]=[CH:7][CH:6]=1>>[CH:6]12[CH2:5][CH:9]([CH:3]([CH:1]=[O:2])[CH2:4]1)[CH:8]=[CH:7]2 | 1 |
[CH:1]([NH:4][C:5](=[O:18])[C:6]([N:8]1[CH2:12][CH2:11][CH:10]([C:13]([O:15]C)=[O:14])[C@@H:9]1[CH3:17])=[O:7])([CH3:3])[CH3:2].[Li+].[OH-].CO.Cl>O1CCCC1.O>[CH:1]([NH:4][C:5](=[O:18])[C:6]([N:8]1[CH2:12][CH2:11][CH:10]([C:13]([OH:15])=[O:14])[C@@H:9]1[CH3:17])=[O:7])([CH3:3])[CH3:2] | 2 |
C(C)(C)(C)OC(CN1C=C(C2=CC(=CC=C12)OC(F)(F)F)C(C)=O)=O>>C(C)(=O)C1=CN(C2=CC=C(C=C12)OC(F)(F)F)CC(=O)O | 5 |
[NH2:1][CH2:2][CH2:3][CH2:4][OH:5].FC(F)(F)S(O[Si:12]([CH:19]([CH3:21])[CH3:20])([CH:16]([CH3:18])[CH3:17])[CH:13]([CH3:15])[CH3:14])(=O)=O.C(N(CC)CC)C.[C:31]([O:35][C:36](=[O:39])[CH2:37]Br)([CH3:34])([CH3:33])[CH3:32]>ClCCl>[C:31]([O:35][C:36](=[O:39])[CH2:37][NH:1][CH2:2][CH2:3][CH2:4][O:5][Si:12]([CH:19]([CH3:21])[CH3:20])([CH:16]([CH3:18])[CH3:17])[CH:13]([CH3:15])[CH3:14])([CH3:34])([CH3:33])[CH3:32] | 1 |
FC1=CC=C(C(=C1NC(C1=C(C(=CC(=C1)C1=CC(=CC=C1)F)C)OC)=O)C)O>>FC1=C(C(=C(C=C1)O)C)NCC1=C(C(=CC(=C1)C1=CC(=CC=C1)F)C)OC | 5 |
[O:1]=[C:2]([C:6]1([C:9]([F:12])([F:11])[F:10])[CH2:8][CH2:7]1)[CH2:3][C:4]#[N:5].S(O)(O)(=O)=O.[NH2:18]O.C(=O)([O-])O.[Na+].Cl>CO.O>[F:12][C:9]([F:10])([F:11])[C:6]1([C:2]2[O:1][N:5]=[C:4]([NH2:18])[CH:3]=2)[CH2:8][CH2:7]1 | 1 |
ClC1=CC=C(CCl)C=C1.CC1=NNC(=C1S(=O)(=O)N1CCC(CC1)C#N)C>>ClC1=CC=C(CC2(CCN(CC2)S(=O)(=O)C=2C(=NNC2C)C)C#N)C=C1 | 5 |
[C:1](=O)([O-])[O-:2].[K+].[K+].[Cl:7][C:8]1[CH:13]=[CH:12][C:11]([OH:14])=[C:10]([F:15])[CH:9]=1.Cl[C:17]1[CH:22]=[CH:21][CH:20]=[C:19](F)[C:18]=1[OH:24].FC1C=CC([N+]([O-])=O)=CC=1.ClC1[CH:41]=[CH:40][C:39]([OH:42])=C(F)C=1Cl.[OH-].[Na+].[Na+].[Cl-]>CS(C)=O>[CH3:1][O:2][C:39](=[O:42])[CH:40]([O:24][C:18]1[CH:19]=[CH:20][C:21]([O:14][C:11]2[CH:12]=[CH:13][C:8]([Cl:7])=[CH:9][C:10]=2[F:15])=[CH:22][CH:17]=1)[CH3:41] | 1 |
COC1=C(C=C2C=NC(=NC2=C1)C)C1=CC=C(N=N1)N(C1CC(NC(C1)(C)C)(C)C)C>C1(=CC=CC=C1)S>CN(C1=CC=C(N=N1)C=1C=C2C=NC=NC2=CC1O)C1CC(NC(C1)(C)C)(C)C | 3 |
C(C)(C)(C)[SiH2]OC(C1=CC=C(C(=O)C=2C=NC=C(C#N)C2)C=C1)(C)C>>OCC1=CC=C(C(=O)C=2C=NC=C(C#N)C2)C=C1 | 5 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([C:14]([O:16][CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)=[O:15])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH3:24][Si]([N-][Si](C)(C)C)(C)C.[K+].C1(C)C=CC=CC=1.CI.O>O1CCCC1>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][C:11]([CH3:24])([C:14]([O:16][CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)=[O:15])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 2 |
Cl.N1CCC[C@@H](C2N3C4C=CNC=4N=CC3=CN=2)C1.C1N=CN([C:25]([N:27]2[CH:31]=N[CH:29]=[CH:28]2)=[O:26])C=1.Cl.[F:33][C:34]1([F:40])CCNC[CH2:35]1>N1C=CC=CC=1>[F:33][C:34]1([F:40])[CH2:29][CH2:28][N:27]([CH:25]=[O:26])[CH2:31][CH2:35]1 | 2 |
[Cl:1][C:2]1[C:7]([F:8])=[CH:6][N:5]=[C:4]2[N:9]([S:13]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)(=[O:15])=[O:14])[C:10](I)=[CH:11][C:3]=12.CC1(C)C(C)(C)OB([C:30]2[CH2:35][CH2:34][N:33]([C:36]([O:38][C:39]([CH3:42])([CH3:41])[CH3:40])=[O:37])[CH2:32][CH:31]=2)O1.C(=O)(O)[O-].[Na+]>CN(C)C=O.O.[Cl-].[Na+].O.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>[Cl:1][C:2]1[C:7]([F:8])=[CH:6][N:5]=[C:4]2[N:9]([S:13]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)(=[O:15])=[O:14])[C:10]([C:30]3[CH2:35][CH2:34][N:33]([C:36]([O:38][C:39]([CH3:42])([CH3:41])[CH3:40])=[O:37])[CH2:32][CH:31]=3)=[CH:11][C:3]=12 | 1 |
NC1=C2N=CN(C2=NC(=N1)F)[C@H]1C[C@@H]([C@](O1)(CO)C#C)O.FC1=C(O[P@@](=O)(OC2=CC=CC=C2)N[C@@H](CC2=CC=CC=C2)C(=O)OCCCCCCCCCC)C(=C(C(=C1F)F)F)F>C1CCCO1.c1ccncc1.C(C)(C)(C)[Mg]Cl>NC1=C2N=CN(C2=NC(=N1)F)[C@H]1C[C@@H]([C@@](O1)(C#C)CO[P@](=O)(OC1=CC=CC=C1)N[C@@H](CC1=CC=CC=C1)C(=O)OCCCCCCCCCC)O | 3 |
C([O:8][C:9]1[CH:10]=[C:11]([C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([CH2:21][CH2:22][CH2:23][OH:24])[CH:16]=2)[CH:12]=[CH:13][CH:14]=1)C1C=CC=CC=1>C1COCC1.[Pd]>[OH:24][CH2:23][CH2:22][CH2:21][C:17]1[CH:16]=[C:15]([C:11]2[CH:12]=[CH:13][CH:14]=[C:9]([OH:8])[CH:10]=2)[CH:20]=[CH:19][CH:18]=1 | 1 |
Cl.COC([C@H]1N(C[C@H](C1)N)C(=O)OC(C)(C)C)=O.ClC(=O)OCC=C>ClCCl.C(C)(C)N(C(C)C)CC.[Cl-].[NH4+]>C(C=C)OC(=O)N[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)OC | 3 |
[CH2:1]([C:5]1[NH:6][C:7]([CH2:10][OH:11])=[CH:8][N:9]=1)[CH2:2][CH2:3][CH3:4].[Bi].[OH-].[Na+].OO>[Pt].CO>[CH2:1]([C:5]1[NH:6][C:7]([CH:10]=[O:11])=[CH:8][N:9]=1)[CH2:2][CH2:3][CH3:4] | 1 |
[CH2:1]([O:8][C:9]([N:11]1[CH2:17][CH:16]([OH:18])[C@@H:15]([NH:19][C:20](=[O:34])[C@@H:21]([NH:26][C:27]([O:29][C:30]([CH3:33])([CH3:32])[CH3:31])=[O:28])[CH2:22][CH:23]([CH3:25])[CH3:24])[CH2:14][CH2:13][C@H:12]1[CH3:35])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CC(C)C[C@H](NC(C1C=C2C(=CC=1)N=CC=C2)=O)C(=O)N[C@H]1CC[C@@H](C)N(S(C2C=CC=CN=2)(=O)=O)CC1O>>[CH2:1]([O:8][C:9]([N:11]1[CH2:17][C:16](=[O:18])[C@@H:15]([NH:19][C:20](=[O:34])[C@@H:21]([NH:26][C:27]([O:29][C:30]([CH3:31])([CH3:33])[CH3:32])=[O:28])[CH2:22][CH:23]([CH3:25])[CH3:24])[CH2:14][CH2:13][C@H:12]1[CH3:35])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=[O:14])[CH2:9][CH2:10][C:11]([OH:13])=[O:12])=[CH:4][C:3]=1[S:15](=[O:18])(=[O:17])[NH2:16].[C:19](Cl)(=O)C.C(O)(=O)C.C(=O)(O)[O-].[Na+]>CO.O>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=[O:14])[CH2:9][CH2:10][C:11]([O:13][CH3:19])=[O:12])=[CH:4][C:3]=1[S:15](=[O:17])(=[O:18])[NH2:16] | 1 |
C(C1=CC=CC=C1)OC1=CC(=C(N)C=C1)C.C(C)O/C=C/C(=O)NC(OC1=C(C=CC=C1)[N+](=O)[O-])=O>N(C)(C)C=O.C1CCC2=NCCCN2CC1>C(C1=CC=CC=C1)OC1=CC(=C(C=C1)NC(=O)NC(\C=C\OC)=O)C | 3 |
C([O:4][C:5]1[CH:14]=[C:13]([CH2:15]Br)[C:12]([C:17]([F:20])([F:19])[F:18])=[CH:11][C:6]=1[C:7]([O:9][CH3:10])=[O:8])(=O)C.C(N(CC)CC)C.[NH:28]1[CH2:33][CH2:32][O:31][CH2:30][CH2:29]1>CC(C)=O>[OH:4][C:5]1[CH:14]=[C:13]([CH2:15][N:28]2[CH2:33][CH2:32][O:31][CH2:30][CH2:29]2)[C:12]([C:17]([F:18])([F:19])[F:20])=[CH:11][C:6]=1[C:7]([O:9][CH3:10])=[O:8] | 1 |
C1=CC2=C(C=C1O)C(=CN2)CCN.Cl>C=O.CCO[H].C(C)(=O)O>Cl.C1NCCC=2C3=CC(=CC=C3NC12)O | 3 |
Cl.C(C)(C)O.CN(C(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C1CCCCC1)C>>Cl.CN(C(=O)C1(CCNCC1)C1CCCCC1)C | 5 |
COC(=O)C1=NC=C(N=C1C)OC>>[Cl-].[Na+].COC=1N=C(C(=NC1)C(=O)O)C | 5 |
NC1=C(C=C(C=C1)OCC1=CC=CC=C1)S(=O)(=O)N.CSC(=C1C(C2=CC=CC=C2C(C1=O)(CCCC)CCCC)=O)SC>>C(C1=CC=CC=C1)OC1=CC2=C(NC(=NS2(=O)=O)C=2C(C(C3=CC=CC=C3C2O)(CCCC)CCCC)=O)C=C1 | 5 |
O1[C@@H](C1)CN1CCN(CC1)C(=O)OCC1=CC=CC=C1>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>OCC(CN1CCN(CC1)C(=O)OCC1=CC=CC=C1)S | 3 |
C(C)(C)(C)[N+]#[C-].BrC1=C(C(=NC=C1)C)C>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CS(=O)C.C(=O)[O-].[Na+].C1(=CC=CC=C1)P(CCP(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1>CC1=NC=CC(=C1C)C=O | 3 |
COC(C(=O)NC1=CC=C(C=C1)[C@@H]1CC[C@H](CC1)C(=O)OC)=O>CCO[H].O.NN>N(N)C(C(=O)NC1=CC=C(C=C1)[C@@H]1CC[C@H](CC1)C(=O)OC)=O | 3 |
FC=1C=C(C(=O)OC)C=CC1O>>FC1=C(C=CC(=C1)C=1OC(=NN1)C)O | 5 |
F[C:2](F)(F)C(O)=O.[NH2:8][C:9]1[C:14]([C:15]([C:17]2[CH:22]=[C:21]([F:23])[CH:20]=[CH:19][C:18]=2[O:24][CH3:25])=[O:16])=[CH:13]N=[C:11]([NH:26][CH:27]2[CH2:32][CH2:31][NH:30][CH2:29][CH2:28]2)[N:10]=1.[CH3:33][O:34][C:35](Cl)=[O:36]>>[CH3:33][O:34][C:35]([N:30]1[CH2:31][CH2:32][CH:27]([NH:26][C:11]2[CH:2]=[CH:13][C:14]([C:15](=[O:16])[C:17]3[CH:22]=[C:21]([F:23])[CH:20]=[CH:19][C:18]=3[O:24][CH3:25])=[C:9]([NH2:8])[N:10]=2)[CH2:28][CH2:29]1)=[O:36] | 1 |
[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][N:12]([C:15]2[CH:16]=[CH:17][C:18]3[C:19]4[CH2:28][NH:27][CH2:26][CH2:25][C:20]=4[N:21]([CH3:24])[C:22]=3[CH:23]=2)[C:11](=[O:29])[CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl[CH2:31][C:32]([N:34]1[CH2:38][CH2:37][CH2:36][CH2:35]1)=[O:33].C([O-])([O-])=O.[K+].[K+]>CN(C=O)C>[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][N:12]([C:15]2[CH:16]=[CH:17][C:18]3[C:19]4[CH2:28][N:27]([CH2:31][C:32](=[O:33])[N:34]5[CH2:38][CH2:37][CH2:36][CH2:35]5)[CH2:26][CH2:25][C:20]=4[N:21]([CH3:24])[C:22]=3[CH:23]=2)[C:11](=[O:29])[CH:10]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
BrCCCCCCCC(=O)O.C(CCCC)O>ClS(Cl)=O>BrCCCCCCCC(=O)OCCCCC | 3 |
FC=1C=C(C=CC1B1OC(C(O1)(C)C)(C)C)N1C(O[C@H](C1)CN1N=NC=C1)=O.BrC=1C=CC(=NC1)C1=NO[C@@H](C1)COCC(=O)OC(C)(C)C>>FC1=C(C=CC(=C1)N1C(O[C@H](C1)CN1N=NC=C1)=O)C=1C=CC(=NC1)C1=NO[C@@H](C1)COCC(=O)OC(C)(C)C | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.Cl.OC1CCNCC1>O1CCOCC1>C(C)(C)(C)OC(=O)N1CCC(CC1)O | 3 |
[C:1]([O:4][CH:5]1[C:6]([OH:39])([CH3:38])[CH2:7][CH2:8][CH:9]([OH:37])[CH2:10][C:11]([O:13][CH:14](/[C:19](/[CH3:36])=[CH:20]/[CH:21]=[CH:22]/[C:23]([OH:35])([CH3:34])[CH2:24][CH:25]2[O:33][CH:26]2[CH:27]([CH3:32])[CH:28]([OH:31])[CH2:29][CH3:30])[CH:15]([CH3:18])[CH:16]=[CH:17]1)=[O:12])(=[O:3])[CH3:2].Cl[Si:41]([CH2:46][CH3:47])([CH2:44][CH3:45])[CH2:42][CH3:43]>ClCCl.C(OCC)(=O)C>[C:1]([O:4][CH:5]1[C:6]([OH:39])([CH3:38])[CH2:7][CH2:8][CH:9]([O:37][Si:41]([CH2:46][CH3:47])([CH2:44][CH3:45])[CH2:42][CH3:43])[CH2:10][C:11]([O:13][CH:14](/[C:19](/[CH3:36])=[CH:20]/[CH:21]=[CH:22]/[C:23]([CH3:34])([O:35][Si:41]([CH2:46][CH3:47])([CH2:44][CH3:45])[CH2:42][CH3:43])[CH2:24][CH:25]2[O:33][CH:26]2[CH:27]([CH3:32])[CH:28]([O:31][Si:41]([CH2:46][CH3:47])([CH2:44][CH3:45])[CH2:42][CH3:43])[CH2:29][CH3:30])[CH:15]([CH3:18])[CH:16]=[CH:17]1)=[O:12])(=[O:3])[CH3:2] | 1 |
CN.ClC1=C(C=C(C)C=C1[N+](=O)[O-])[N+](=O)[O-]>CCO[H]>[N+](=O)([O-])C1=C(NC)C(=CC(=C1)C)[N+](=O)[O-] | 3 |
Br[C:2]1[S:6][C:5]([NH:7][C:8]([NH:10][C:11]2[CH:16]=[CH:15][C:14]([CH3:17])=[CH:13][C:12]=2[C:18]([CH:20]2[CH2:24][CH2:23][CH2:22][CH2:21]2)=[O:19])=[O:9])=[N:4][CH:3]=1.[SH:25][CH2:26][CH2:27][NH:28][C:29](=[O:31])[CH3:30]>>[CH:20]1([C:18]([C:12]2[CH:13]=[C:14]([CH3:17])[CH:15]=[CH:16][C:11]=2[NH:10][C:8](=[O:9])[NH:7][C:5]2[S:6][C:2]([S:25][CH2:26][CH2:27][NH:28][C:29](=[O:31])[CH3:30])=[CH:3][N:4]=2)=[O:19])[CH2:24][CH2:23][CH2:22][CH2:21]1 | 1 |
C=[CH:2][C@@H:3]1[C@:20]2([CH3:21])[C@H:6]([C@H:7]3[C@H:17]([CH2:18][CH2:19]2)[C@:15]2([CH3:16])[C:10](=[CH:11][C:12](=[O:22])[CH2:13][CH2:14]2)[C:9](=O)[CH2:8]3)[CH2:5][CH2:4]1.ClC1C(=O)C(C#N)=C(C#N)C(=O)C=1Cl.[Na].O>O1CCOCC1.C(OC)(C)(C)C>[CH2:2]=[C:3]1[CH2:4][CH2:5][C@H:6]2[C@H:7]3[C@H:17]([CH2:18][CH2:19][C@:20]12[CH3:21])[C@:15]1([CH3:16])[C:10](=[CH:11][C:12](=[O:22])[CH:13]=[CH:14]1)[CH2:9][CH2:8]3 | 1 |
FC(OC=1C=C(C=CC1)NN=C(C(C)=O)C(C)=O)(F)F>COC(N(C)C)OC>C1(=CC=CC=C1)N1N=CC=C1C1=NN(C=CC1=O)C1=CC(=CC=C1)OC(F)(F)F | 3 |
[F:1][C:2]1[CH:11]=[C:10]2[C:5]([CH:6]=[C:7]([NH:13][C:14]3[CH:18]=[C:17]([CH3:19])[NH:16][N:15]=3)[N:8]=[C:9]2O)=[CH:4][C:3]=1[O:20][CH3:21].O=P(Cl)(Cl)[Cl:24]>>[Cl:24][C:9]1[C:10]2[C:5](=[CH:4][C:3]([O:20][CH3:21])=[C:2]([F:1])[CH:11]=2)[CH:6]=[C:7]([NH:13][C:14]2[CH:18]=[C:17]([CH3:19])[NH:16][N:15]=2)[N:8]=1 | 1 |
[F:1][C:2]1[C:10]([OH:11])=[C:9]([F:12])[C:8]([F:13])=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].[CH:14](I)([CH3:16])[CH3:15].O.[OH-].[Na+]>C(O)C>[F:1][C:2]1[C:10]([O:11][CH:14]([CH3:16])[CH3:15])=[C:9]([F:12])[C:8]([F:13])=[CH:7][C:3]=1[C:4]([OH:6])=[O:5] | 1 |
C(C)(C)(C)OC(\C=C\C1=C(N=C2N(C1=O)C=CC(=C2)C(=O)NC=2SC=C(N2)C(C)(C)C)N2CCC(CC2)CC(=O)OCC)=O>C1CCCO1.[OH-].[Na+]>C(C)(C)(C)OC(\C=C\C1=C(N=C2N(C1=O)C=CC(=C2)C(=O)NC=2SC=C(N2)C(C)(C)C)N2CCC(CC2)CC(=O)O)=O | 3 |
O1N=C(C=C1C(=O)OC(C)(C)C)C(=O)OCC>Cl.O1CCOCC1>C(C)OC(=O)C1=NOC(=C1)C(=O)O | 3 |
FC1=CC=C(C=C1)C(=O)N1[C@@H](C=2N(CC1)C(=NN2)C2=NC(=NS2)C)C>C(C)(=O)OCC.O.C1(=CC=C(C=C1)S(=O)(=O)O)C>CC1=CC=C(C=C1)S(=O)(=O)O.FC1=CC=C(C=C1)C(=O)N1[C@@H](C=2N(CC1)C(=NN2)C2=NC(=NS2)C)C | 3 |
CSC1=CC=C2N=CC(NC2=C1)=O>ClCCl.P(=O)(Cl)(Cl)Cl>ClC1=NC2=CC(=CC=C2N=C1)SC | 3 |
Cl.C(C)(C)(C)OC(CN)=O.BrC1=C(C=CC(=C1)C(=O)OCC)S[C@H](C(=O)O)CCCC1=CC=C(C=C1)OC>>BrC=1C=C(C(=O)OCC)C=CC1S[C@@H](CCCC1=CC=C(C=C1)OC)C(=O)NCC(=O)OC(C)(C)C | 5 |
[N+](=O)([O-])C1=C(CC=2NC(NC2)=O)C=CC=C1>>NC1=C(CC=2NC(NC2)=O)C=CC=C1 | 5 |
Cl[C:2]1[CH:7]=[C:6]([CH:8]2[CH2:10][CH2:9]2)[N:5]=[C:4]([CH2:11][N:12]2[C:20](=[O:21])[C:19]3[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=3)[C:13]2=[O:22])[CH:3]=1.CC1(C)OB([C:29]2[CH:30]=[N:31][C:32]([C:35]([F:38])([F:37])[F:36])=[N:33][CH:34]=2)OC1(C)C.C(=O)([O-])[O-].[K+].[K+]>O1CCOCC1.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]>[CH:8]1([C:6]2[N:5]=[C:4]([CH2:11][N:12]3[C:20](=[O:21])[C:19]4[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=4)[C:13]3=[O:22])[CH:3]=[C:2]([C:29]3[CH:30]=[N:31][C:32]([C:35]([F:38])([F:37])[F:36])=[N:33][CH:34]=3)[CH:7]=2)[CH2:10][CH2:9]1 | 2 |
[CH2:1]([O:8][C:9]1[C:14]([N+:15]([O-:17])=[O:16])=[C:13](Cl)[CH:12]=[CH:11][N:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:19]1(B(O)O)[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1.O.O.O.O.O.O.O.O.[OH-].[Ba+2].[OH-].C(COC)OC>[Pd](Cl)Cl.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(OCC)(=O)C.O>[CH2:1]([O:8][C:9]1[C:14]([N+:15]([O-:17])=[O:16])=[C:13]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[CH:12]=[CH:11][N:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
[C:1]1([OH:7])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[OH-].[K+].[CH3:10][CH:11](C1C=C(C)C=CC=1S([O-])(=O)=O)[C:12]#[CH:13].O>CCO>[CH3:13][CH:12]([O:7][C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1)[C:11]#[CH:10] | 2 |
C[O:2][C:3]([C:5]1[S:28][C:8]2[N:9]=[CH:10][N:11]=[C:12]([NH:13][N:14]3[CH:19]=[CH:18][CH:17]=[N:16][CH:15]3[O:20][C@H:21]3[CH2:26][CH2:25][C@H:24]([OH:27])[CH2:23][CH2:22]3)[C:7]=2[C:6]=1[CH3:29])=[O:4].[OH-].[Li+].C1COCC1.Cl>O.CO>[OH:27][C@H:24]1[CH2:25][CH2:26][C@H:21]([O:20][CH:15]2[N:14]([NH:13][C:12]3[C:7]4[C:6]([CH3:29])=[C:5]([C:3]([OH:4])=[O:2])[S:28][C:8]=4[N:9]=[CH:10][N:11]=3)[CH:19]=[CH:18][CH:17]=[N:16]2)[CH2:22][CH2:23]1 | 2 |
Cl[C:2]1[C:7]2[CH:8]=[N:9][N:10]([CH2:11][C:12]3[CH:13]=[C:14]4[C:18](=[CH:19][CH:20]=3)[N:17]([CH3:21])[C:16]([CH3:22])=[CH:15]4)[C:6]=2[CH:5]=[CH:4][N:3]=1.[NH2:23][CH2:24][C:25]1[CH:26]=[C:27]2[C:32](=[CH:33][CH:34]=1)[C:31]([NH2:35])=[N:30][CH:29]=[CH:28]2>CCCCO>[CH3:21][N:17]1[C:18]2[C:14](=[CH:13][C:12]([CH2:11][N:10]3[C:6]4[CH:5]=[CH:4][N:3]=[C:2]([NH:23][CH2:24][C:25]5[CH:26]=[C:27]6[C:32](=[CH:33][CH:34]=5)[C:31]([NH2:35])=[N:30][CH:29]=[CH:28]6)[C:7]=4[CH2:8][NH:9]3)=[CH:20][CH:19]=2)[CH:15]=[C:16]1[CH3:22] | 2 |
[2H]C(OC1=C(OC=2C(=NC=C(C2)C(F)(F)F)C(=O)O)C=CC(=C1)OC(F)(F)F)([2H])[2H]>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl>[2H]C(OC1=C(OC=2C(=NC=C(C2)C(F)(F)F)C(=O)Cl)C=CC(=C1)OC(F)(F)F)([2H])[2H] | 3 |
CN(C(OC(C)(C)C)=O)CC=1SC(=C(C1)N1C(CCCC1)=O)S(=O)(=O)C1=CC=CC=C1>>Cl.CNCC1=CC(=C(S1)S(=O)(=O)C1=CC=CC=C1)N1C(CCCC1)=O | 5 |
C(C1=CC=CC=C1)N1C(COC(C1)(C)C)C(C)O>CCO[H].O.O.[Pd].[HH].[Pd]>CC1(OCC(NC1)C(C)O)C | 3 |
[CH:1]12[O:6][CH:5]1[CH2:4][N:3]([C:7]1[N:12]=[C:11]([C:13]3[CH:18]=[CH:17][C:16]([O:19][C:20]4[CH:25]=[CH:24][C:23]([F:26])=[CH:22][CH:21]=4)=[CH:15][CH:14]=3)[N:10]=[C:9]([C:27]([NH2:29])=[O:28])[CH:8]=1)[CH2:2]2.C1C[O:33]CC1>O>[OH:6][CH:1]1[CH:5]([OH:33])[CH2:4][N:3]([C:7]2[N:12]=[C:11]([C:13]3[CH:18]=[CH:17][C:16]([O:19][C:20]4[CH:25]=[CH:24][C:23]([F:26])=[CH:22][CH:21]=4)=[CH:15][CH:14]=3)[N:10]=[C:9]([C:27]([NH2:29])=[O:28])[CH:8]=2)[CH2:2]1 | 1 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:9]=[C:10]([C:12]([F:15])([F:14])[F:13])[CH:11]=1)[C:5](OC)=[O:6].ClC1C=C(CO)C=C(C(F)(F)F)C=1>>[Br:1][C:2]1[CH:3]=[C:4]([CH2:5][OH:6])[CH:9]=[C:10]([C:12]([F:14])([F:15])[F:13])[CH:11]=1 | 1 |
Br[C:2]1[N:9]2[C:5](=[N:6][C:7]3[CH:13]=[CH:12][CH:11]=[CH:10][C:8]=32)[S:4][N:3]=1.[C:14]([O:22][CH2:23][CH3:24])(=[O:21])[CH2:15][C:16]([O:18][CH2:19][CH3:20])=[O:17].C(N(CC)CC)C>C1COCC1>[CH2:23]([O:22][C:14]([CH:15]([C:16]([O:18][CH2:19][CH3:20])=[O:17])[C:2]1[N:9]2[C:5](=[N:6][C:7]3[CH:13]=[CH:12][CH:11]=[CH:10][C:8]=32)[S:4][N:3]=1)=[O:21])[CH3:24] | 1 |
C(Cl)(=O)C(Cl)=O.CS(C)=O.[CH2:11]([CH:13]1[CH:39]=[C:38]([CH3:40])[CH:37]([F:41])[CH:36]([CH3:42])[CH2:35][CH:34]([O:43][CH3:44])[CH:33]2[O:45][C:29]([OH:49])([CH:30]([CH3:48])[CH2:31][CH:32]2[O:46][CH3:47])[C:28](=[O:50])[C:27](=[O:51])[N:26]2[CH:21]([CH2:22][CH2:23][CH2:24][CH2:25]2)[C:20](=[O:52])[O:19][CH:18]([C:53]([CH3:64])=[CH:54][CH:55]2[CH2:60][CH2:59][CH:58]([OH:61])[CH:57]([O:62][CH3:63])[CH2:56]2)[CH:17]([CH3:65])[CH:16]([O:66][Si:67]([CH:74]([CH3:76])[CH3:75])([CH:71]([CH3:73])[CH3:72])[CH:68]([CH3:70])[CH3:69])[CH2:15][C:14]1=[O:77])[CH3:12].C(N(CC)CC)C>C(Cl)Cl.O>[CH2:11]([CH:13]1[CH:39]=[C:38]([CH3:40])[CH:37]([F:41])[CH:36]([CH3:42])[CH2:35][CH:34]([O:43][CH3:44])[CH:33]2[O:45][C:29]([OH:49])([CH:30]([CH3:48])[CH2:31][CH:32]2[O:46][CH3:47])[C:28](=[O:50])[C:27](=[O:51])[N:26]2[CH:21]([CH2:22][CH2:23][CH2:24][CH2:25]2)[C:20](=[O:52])[O:19][CH:18]([C:53]([CH3:64])=[CH:54][CH:55]2[CH2:60][CH2:59][C:58](=[O:61])[CH:57]([O:62][CH3:63])[CH2:56]2)[CH:17]([CH3:65])[CH:16]([O:66][Si:67]([CH:74]([CH3:76])[CH3:75])([CH:71]([CH3:73])[CH3:72])[CH:68]([CH3:70])[CH3:69])[CH2:15][C:14]1=[O:77])[CH3:12] | 1 |
C1=CC=CC=2C3=CC=CC=C3C(C12)COC(NC(CCCCNC(OC(C)(C)C)=O)C(=O)OCCCCO[N+](=O)[O-])=O>>N[C@H](C(=O)OCCCCO[N+](=O)[O-])CCCCNC(=O)OC(C)(C)C | 5 |
[N+:1]([C:4]1[CH:12]=[CH:11][CH:10]=[C:9]2[C:5]=1[CH:6]=[CH:7][NH:8]2)([O-:3])=[O:2].[Cl-].[Cl:14][C:15]1[CH:24]=[C:23]([F:25])[CH:22]=[CH:21][C:16]=1[CH:17]=[N+:18]([CH3:20])[CH3:19].ClC1C=C(F)C=CC=1C=O.CNC>>[Cl:14][C:15]1[CH:24]=[C:23]([F:25])[CH:22]=[CH:21][C:16]=1[CH:17]([N:18]([CH3:20])[CH3:19])[C:6]1[C:5]2[C:9](=[CH:10][CH:11]=[CH:12][C:4]=2[N+:1]([O-:3])=[O:2])[NH:8][CH:7]=1 | 1 |
CS(=O)(=O)NC(OC(C)(C)C)=O.C12[C@H](CC(CC1)C2)N2C(=NC=1C2=C2C(=NC1)C=CS2)CCl>>C12[C@H](CC(CC1)C2)N2C(=NC=1C2=C2C(=NC1)C=CS2)CN(C(OC(C)(C)C)=O)S(=O)(=O)C | 5 |
C(C)N1C2=C(S(C3=C(C1=O)C=CC=C3)=O)C=CC(=C2)C(=O)O>>NC1=CC2=C(S(C3=C(C(N2CC)=O)C=CC=C3)=O)C=C1 | 5 |
[C:1]([C:3]1[N:11]=[CH:10][C:9]([O:12][CH2:13][CH2:14][O:15][CH3:16])=[CH:8][C:4]=1[C:5]([NH2:7])=[O:6])#[CH:2].CNC>CO>[NH4+:7].[OH-:6].[CH3:16][O:15][CH2:14][CH2:13][O:12][C:9]1[CH:10]=[N:11][C:3]2[CH:1]=[CH:2][NH:7][C:5](=[O:6])[C:4]=2[CH:8]=1 | 1 |
[F:1][C:2]1[CH:8]=[C:7]([Br:9])[C:6]([O:10][C:11]([O:13][CH3:14])=[O:12])=[CH:5][C:3]=1[NH2:4].[C:15](OCC)(=[O:17])C>>[F:1][C:2]1[CH:8]=[C:7]([Br:9])[C:6]([O:10][C:11]([O:13][CH3:14])=[O:12])=[CH:5][C:3]=1[N:4]=[C:15]=[O:17] | 1 |
[Cl:1][C:2]1[CH:7]=[N:6][C:5](SC)=[CH:4][N:3]=1.O[O:11][S:12]([O-:14])=O.[K+].[CH3:16]O>O>[Cl:1][C:2]1[CH:7]=[N:6][C:5]([S:12]([CH3:16])(=[O:14])=[O:11])=[CH:4][N:3]=1 | 2 |
[CH:1]([C:3]1[CH:11]=[CH:10][C:6]([C:7]([OH:9])=[O:8])=[CH:5][CH:4]=1)=[O:2].I[CH:13]([CH3:15])[CH3:14]>>[CH:1]([C:3]1[CH:11]=[CH:10][C:6]([C:7]([O:9][CH:13]([CH3:15])[CH3:14])=[O:8])=[CH:5][CH:4]=1)=[O:2] | 2 |
C(=O)=O.BrC=1C=CC(=C(C(=O)O)C1)Cl>>ClC1=C(C(=O)Cl)C=C(C=C1)Br | 5 |
BrC(C(=O)OCC)C.FC1=C(C=CC=C1)O>>C(C)OC(C(C)OC1=C(C=CC=C1)F)=O | 5 |
ClC1=C(C=C2C(NC(NC2=C1SCC(CO)(COC)COC)=O)=O)C(F)(F)F>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>ClC1=C(C=C2C(NC(N3C2=C1SCC(C3)(COC)COC)=O)=O)C(F)(F)F | 3 |
[C:1]([OH:4])(=O)[CH3:2].C1C=CC2N(O)N=NC=2C=1.CN1CCOCC1.C(Cl)CCl.[CH3:26][C:27]1[N:28]=[C:29]([CH3:56])[N:30]2[C:35]=1[C:34]([O:36][C:37]1[CH:42]=[C:41]([O:43][CH3:44])[C:40]([O:45][CH3:46])=[C:39]([O:47][CH3:48])[CH:38]=1)=[N:33][C:32]([C:49]1[CH:55]=[CH:54][C:52]([NH2:53])=[CH:51][CH:50]=1)=[N:31]2>ClCCl>[CH3:26][C:27]1[N:28]=[C:29]([CH3:56])[N:30]2[C:35]=1[C:34]([O:36][C:37]1[CH:38]=[C:39]([O:47][CH3:48])[C:40]([O:45][CH3:46])=[C:41]([O:43][CH3:44])[CH:42]=1)=[N:33][C:32]([C:49]1[CH:50]=[CH:51][C:52]([NH:53][C:1](=[O:4])[CH3:2])=[CH:54][CH:55]=1)=[N:31]2 | 1 |
[C@@H:1]1([N:9]2[CH:16]=[CH:15][C:13](=[O:14])[NH:12][C:10]2=[O:11])[O:8][C@H:5]([CH2:6][OH:7])[C@@H:3]([OH:4])[CH2:2]1.C([C:26](Cl)([C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)C1C=CC(OC)=CC=1.CCO[C:43]([CH3:45])=O.CO.N1C=[CH:52][CH:51]=[CH:50][CH:49]=1>>[OH:4][CH:3]1[CH:5]([CH2:6][O:7][C:26]([C:43]2[CH:45]=[CH:52][CH:51]=[CH:50][CH:49]=2)([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)[O:8][CH:1]([N:9]2[CH:16]=[CH:15][C:13](=[O:14])[NH:12][C:10]2=[O:11])[CH2:2]1 | 2 |
[C:1]1([N:7]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[C:8](=[O:21])[CH2:9][N:10]2[CH:15]=[CH:14][CH:13]=[C:12]([C:16]([O:18]C)=[O:17])[C:11]2=[O:20])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[OH-].[Na+]>CO>[C:22]1([N:7]([C:1]2[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=2)[C:8](=[O:21])[CH2:9][N:10]2[CH:15]=[CH:14][CH:13]=[C:12]([C:16]([OH:18])=[O:17])[C:11]2=[O:20])[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1 | 2 |
O1CC(CC1)CNC(=O)C1=NOC(=C1)COCC1=CC(=CC=C1)F>N(C)(C)C=O.C1CCCO1.C(CCC)[Li]>O1CC(CC1)CNC(=O)C1=NOC(=C1C=O)COCC1=CC(=CC=C1)F | 3 |
[CH2:1]([C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[C:9]1[CH:14]=[CH:13][C:12]([C:15](O)=O)=[CH:11][C:10]=1[CH2:18][O:19][CH3:20])[CH3:2].[NH2:21][C:22](=[N:39][OH:40])[C:23]1[CH:37]=[CH:36][C:26]([O:27][CH2:28][CH2:29][CH2:30][C:31]([O:33][CH2:34][CH3:35])=[O:32])=[C:25]([F:38])[CH:24]=1>>[CH2:1]([C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[C:9]1[CH:14]=[CH:13][C:12]([C:15]2[O:40][N:39]=[C:22]([C:23]3[CH:37]=[CH:36][C:26]([O:27][CH2:28][CH2:29][CH2:30][C:31]([O:33][CH2:34][CH3:35])=[O:32])=[C:25]([F:38])[CH:24]=3)[N:21]=2)=[CH:11][C:10]=1[CH2:18][O:19][CH3:20])[CH3:2] | 1 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:16]=[CH:15][CH:14]=[C:13]3[C:9]=2[CH2:10][C:11](=[O:17])[NH:12]3)=[CH:4][CH:3]=1.[CH2:18]([N:20]([CH2:34][CH3:35])[CH2:21][CH2:22][NH:23][C:24]([C:26]1[NH:27][C:28]([CH:32]=O)=[C:29]([CH3:31])[CH:30]=1)=[O:25])[CH3:19]>C(O)C.N1CCCCC1>[CH2:34]([N:20]([CH2:18][CH3:19])[CH2:21][CH2:22][NH:23][C:24]([C:26]1[NH:27][C:28]([CH:32]=[C:10]2[C:9]3[C:13](=[CH:14][CH:15]=[CH:16][C:8]=3[C:5]3[CH:4]=[CH:3][C:2]([F:1])=[CH:7][CH:6]=3)[NH:12][C:11]2=[O:17])=[C:29]([CH3:31])[CH:30]=1)=[O:25])[CH3:35] | 1 |
O[CH2:2][C:3]1[CH:8]=[CH:7][N:6]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[C:5](=[O:15])[CH:4]=1.C(Br)(Br)(Br)[Br:17].C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>C(Cl)Cl>[Br:17][CH2:2][C:3]1[CH:8]=[CH:7][N:6]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[C:5](=[O:15])[CH:4]=1 | 1 |
[Cl:1][C:2]1[CH:27]=[CH:26][C:5]([C:6]([C:9]2[CH:14]=[C:13]([C:15]([C:18]3[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][CH:19]=3)([CH3:17])[CH3:16])[CH:12]=[CH:11][C:10]=2[OH:25])([CH3:8])[CH3:7])=[CH:4][CH:3]=1.[Cl-:28].Cl[C:30]1[CH:35]=[CH:34][C:33]([N+:36]#[N:37])=[C:32]([N+:38]([O-:40])=[O:39])[CH:31]=1>>[Cl:28][C:35]1[CH:30]=[CH:31][C:32]([N+:38]([O-:40])=[O:39])=[C:33]([N:36]=[N:37][C:11]2[CH:12]=[C:13]([C:15]([C:18]3[CH:19]=[CH:20][C:21]([Cl:24])=[CH:22][CH:23]=3)([CH3:16])[CH3:17])[CH:14]=[C:9]([C:6]([C:5]3[CH:26]=[CH:27][C:2]([Cl:1])=[CH:3][CH:4]=3)([CH3:8])[CH3:7])[C:10]=2[OH:25])[CH:34]=1 | 1 |
COC1=C(NCC#C)C=CC(=C1)S(=O)(=O)C.C(C)N1CCC(CC1)NC=1C=2C=C(N(C2C=CC1)CC(F)(F)F)I>[Cu]I.C(C)(C)NC(C)C.CS(=O)C.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O>C(C)N1CCC(CC1)NC=1C=2C=C(N(C2C=CC1)CC(F)(F)F)C#CCNC1=C(C=C(C=C1)S(=O)(=O)C)OC.C(C)N1CCC(CC1)NC1=C2C=C(N(C2=CC=C1)CC(F)(F)F)C#CCNC1=C(C=C(C=C1)S(=O)(=O)N)OC | 3 |
FC1=C(C(=C(C=C1)[N+](=O)[O-])F)I>CCO[H].Cl.O.O.[Sn](Cl)(Cl)(Cl)Cl>FC1=C(N)C=CC(=C1I)F | 3 |
BrCCCC.OC=1C=CC=2C(C3=CC=C(C=C3OC2C1)O)=O>O.C(C)(C)O>C(CCC)OC=1C=CC=2C(C3=CC=C(C=C3OC2C1)O)=O | 3 |
CI.BrC1=C(C(=C(C=C1)O)[N+](=O)[O-])C>C([O-])([O-])=O.[K+].[K+].CC(=O)C>BrC1=C(C(=C(C=C1)OC)[N+](=O)[O-])C | 3 |
FC1=C(C=C(C=C1)C=1C(=C(C=CC1)C)C(=O)O)[N+](=O)[O-]>N(C)(C)C=O.C(C(C)C)NCC(C)C>C(C(C)C)N(C1=C(C=C(C=C1)C=1C(=C(C=CC1)C)C(=O)O)[N+](=O)[O-])CC(C)C | 3 |
COC(=O)C1=NC(=NC(=C1)C)C1=CC=C(C=C1)C1=CC=CC=C1>>C1(=CC=C(C=C1)C1=NC(=CC(=N1)C(=O)O)C)C1=CC=CC=C1 | 5 |
BrC1=C(C=NC2=CC(=C(C=C12)OC)F)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>BrC1=C(C=NC2=CC(=C(C=C12)OC)F)N | 3 |
[N+:1]([O-:4])([OH:3])=O.[Cl:5][C:6]1[CH:11]=[CH:10][C:9]([N+:12]([O-:14])=[O:13])=[C:8]([Cl:15])[CH:7]=1>OS(O)(=O)=O>[Cl:5][C:6]1[C:11]([N+:1]([O-:4])=[O:3])=[CH:10][C:9]([N+:12]([O-:14])=[O:13])=[C:8]([Cl:15])[CH:7]=1 | 1 |
N1=CC(=CC=C1)C=O.NC=1C=C(C=CC1)N1C=NC2=C1C=CC(=C2)C(=O)NCC=2C=NC=CC2>>N1=CC(=CC=C1)CNC=1C=C(C=CC1)N1C=NC2=C1C=CC(=C2)C(=O)NCC=2C=NC=CC2 | 5 |
ICCC.OC[C@H](C1=CC=CC=C1)NC(=O)C=1NC=C(C1)C1=NC(=NC=C1C)S>N>OC[C@H](C1=CC=CC=C1)NC(=O)C=1NC=C(C1)C1=NC(=NC=C1C)SCCC | 3 |
[N+](=O)([O-])C=1C=C(C(N)=NO)C=CC1>ClCCl.C(C)(=O)OC(C)=O.C(C)(C)N(C(C)C)CC>C(C)(=O)O\N=C(\C1=CC(=CC=C1)[N+](=O)[O-])/N | 3 |
ClC1=C(C=NC2=CC=CC=C12)[N+](=O)[O-].C(C1=CC=CC=C1)OC[C@@H](CO[Si](C)(C)C(C)(C)C)N>ClCCl.CCN(CC)CC>C(C1=CC=CC=C1)OC[C@@H](CO[Si](C)(C)C(C)(C)C)NC1=C(C=NC2=CC=CC=C12)[N+](=O)[O-] | 3 |
[Cl:1][C:2]1[C:7](N)=[C:6]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=2[O:15]C)[CH:5]=[CH:4][N:3]=1.S(=O)(=O)(O)O.CC([N+]([O-])=O)(C)C>C(O)(=O)C>[Cl:1][C:2]1[C:7]2[O:15][C:10]3[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=3[C:6]=2[CH:5]=[CH:4][N:3]=1 | 1 |
FC1=CC=C2C(=NNC2=C1)I>C1CCCO1.[H-].[Na+].C(CCC)[Sn](CCCC)(CCCC)Cl.C(C)(C)[Mg]Cl>FC1=CC=C2C(=NNC2=C1)[Sn](CCCC)(CCCC)CCCC | 3 |
C[O-].[CH2:3]([C:5]1([CH2:23][CH2:24][C:25]([O:27][CH3:28])=[O:26])[C:14]2[C:13]3[NH:15][C:16]4[C:21]([C:12]=3[CH2:11][CH2:10][N+:9]=2[CH2:8][CH2:7][CH2:6]1)=[CH:20][C:19]([Br:22])=[CH:18][CH:17]=4)[CH3:4].[Cl:29]([OH:33])(=[O:32])(=[O:31])=[O:30]>CO>[Cl:29]([O-:33])(=[O:32])(=[O:31])=[O:30].[CH2:3]([C:5]1([CH2:23][CH2:24][C:25]([O:27][CH3:28])=[O:26])[C:14]2[C:13]3[NH:15][C:16]4[C:21]([C:12]=3[CH2:11][CH2:10][N+:9]=2[CH2:8][CH2:7][CH2:6]1)=[CH:20][C:19]([Br:22])=[CH:18][CH:17]=4)[CH3:4] | 1 |
[N+](=O)([O-])C=1C=C(C(=O)OC)C=C(C1)C(F)(F)F>CCO[H].[HH].[Pd]>NC=1C=C(C(=O)OC)C=C(C1)C(F)(F)F | 3 |
[S:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[CH:6]=O.[CH3:8][O:9][CH2:10][CH2:11][NH2:12].[C:13]1(=[O:24])[O:19][C:17](=O)[C:16]2=[CH:20][CH:21]=[CH:22][CH:23]=[C:15]2[CH2:14]1.[N:25]1([CH2:30][C:31]2[CH:32]=[C:33]([CH:35]=[CH:36][CH:37]=2)[NH2:34])[CH:29]=[CH:28][N:27]=[CH:26]1>>[N:25]1([CH2:30][C:31]2[CH:32]=[C:33]([NH:34][C:13]([CH:14]3[C:15]4[C:16](=[CH:20][CH:21]=[CH:22][CH:23]=4)[C:17](=[O:19])[N:12]([CH2:11][CH2:10][O:9][CH3:8])[CH:6]3[C:2]3[S:1][CH:5]=[CH:4][CH:3]=3)=[O:24])[CH:35]=[CH:36][CH:37]=2)[CH:29]=[CH:28][N:27]=[CH:26]1 | 2 |
[CH2:1]([NH:8][C:9]1[CH:19]=[CH:18][C:12]([C:13]([O:15]CC)=[O:14])=[CH:11][CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(O)C.O.[OH-].[K+].Cl>O>[CH2:1]([NH:8][C:9]1[CH:10]=[CH:11][C:12]([C:13]([OH:15])=[O:14])=[CH:18][CH:19]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
C(C1=CC=CC=C1)N1CCNCC1.BrC1=CC(=CC=2C=C(OC21)C(=O)OCC)F>C1(=CC=CC=C1)C.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.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>C(C)OC(=O)C=1OC2=C(C1)C=C(C=C2N2CCN(CC2)CC2=CC=CC=C2)F | 3 |
ClC=1C=C(CN)C=CC1.BrC1=CC=CC(=N1)C1=NN(C2=NC(=NC=C21)NCCN2CCOCC2)COCC[Si](C)(C)C>>ClC=1C=C(CNC2=CC=CC(=N2)C2=NN(C3=NC(=NC=C32)NCCN3CCOCC3)COCC[Si](C)(C)C)C=CC1 | 5 |
Br[C:2]1[CH:3]=[C:4]([CH:25]=[CH:26][N:27]=1)[C:5]([NH:7][C:8]1[S:9][C:10]2[C:16]([N:17]3[CH2:22][CH2:21][O:20][CH2:19][CH2:18]3)=[CH:15][CH:14]=[C:13]([O:23][CH3:24])[C:11]=2[N:12]=1)=[O:6].C(=O)([O-])[O-].[Cs+].[Cs+].[CH3:34][O:35][CH2:36][CH2:37][NH:38][CH2:39][CH3:40]>>[CH2:39]([N:38]([CH2:37][CH2:36][O:35][CH3:34])[C:2]1[CH:3]=[C:4]([CH:25]=[CH:26][N:27]=1)[C:5]([NH:7][C:8]1[S:9][C:10]2[C:16]([N:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)=[CH:15][CH:14]=[C:13]([O:23][CH3:24])[C:11]=2[N:12]=1)=[O:6])[CH3:40] | 1 |
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