smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(OC(=O)[NH:7][C:8]1[CH:13]=[CH:12][C:11]([O:14][CH3:15])=[CH:10][C:9]=1[CH2:16][C:17](=O)[CH2:18][CH:19]1[CH2:21]C1)(C)(C)C.FC(F)(F)C(O)=O.O>C(Cl)Cl>[CH3:15][O:14][C:11]1[CH:10]=[C:9]2[C:8](=[CH:13][CH:12]=1)[NH:7][C:17]([CH:18]1[CH2:19][CH2:21]1)=[CH:16]2 | 2 |
N1CCNCC1.ClC1=CC(=C(N)C=C1Cl)[N+](=O)[O-]>C([O-])([O-])=O.[Na+].[Na+].C1(CCCCC1)O>ClC1=CC(=C(N)C=C1N1CCNCC1)[N+](=O)[O-] | 3 |
FC1=CC2=C(C(CO2)=NO)C=C1>>FC1=CC2=C(C(CO2)N)C=C1 | 5 |
[OH-].[K+].[C:3]([NH:6][NH:7][C:8](=[O:10])[CH3:9])(=[O:5])[CH3:4].[CH2:11]([O:14][CH2:15][CH2:16]Cl)[CH2:12]Cl.C(=O)([O-])[O-].[K+].[K+]>C(O)(C)C.CS(C)=O>[C:3]([N:6]1[N:7]([C:8](=[O:10])[CH3:9])[CH:16]=[CH:15][O:14][CH:11]=[CH:12]1)(=[O:5])[CH3:4] | 1 |
[NH2:1][C:2]1[C:7]([O:8][CH2:9][C:10]2[CH:17]=[CH:16][CH:15]=[CH:14][C:11]=2[C:12]#[N:13])=[CH:6][C:5](Br)=[CH:4][N:3]=1.CC1(C)C(C)(C)OB([C:27]2[CH:32]=[CH:31][C:30]([NH:33][S:34]([CH3:37])(=[O:36])=[O:35])=[CH:29][CH:28]=2)O1>>[NH2:1][C:2]1[N:3]=[CH:4][C:5]([C:27]2[CH:28]=[CH:29][C:30]([NH:33][S:34]([CH3:37])(=[O:35])=[O:36])=[CH:31][CH:32]=2)=[CH:6][C:7]=1[O:8][CH2:9][C:10]1[CH:17]=[CH:16][CH:15]=[CH:14][C:11]=1[C:12]#[N:13] | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][C:11]=1[C:12](O)=[O:13])[N:8]=[CH:7][N:6]=[C:5]2[NH:15][CH:16]([C:18]1[NH:22][C:21]2[CH:23]=[CH:24][C:25]([Cl:27])=[CH:26][C:20]=2[N:19]=1)[CH3:17].FC1C(OC(N(C)C)=[N+](C)C)=C(F)C(F)=C(F)C=1F.F[P-](F)(F)(F)(F)F.C(N(C(C)C)CC)(C)C.[CH2:63]([O:65][C:66]([C@H:68]1[CH2:72][CH2:71][CH2:70][NH:69]1)=[O:67])[CH3:64]>CS(C)=O>[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][C:11]=1[C:12]([N:69]1[CH2:70][CH2:71][CH2:72][C@@H:68]1[C:66]([O:65][CH2:63][CH3:64])=[O:67])=[O:13])[N:8]=[CH:7][N:6]=[C:5]2[NH:15][CH:16]([C:18]1[NH:22][C:21]2[CH:23]=[CH:24][C:25]([Cl:27])=[CH:26][C:20]=2[N:19]=1)[CH3:17] | 1 |
CC1=NC=C(N=C1)C=C.ClC1=CC=2C3=C(NC2C=C1)CCN(C3)C>>ClC1=CC=2C3=C(N(C2C=C1)CCC1=NC=C(N=C1)C)CCN(C3)C | 5 |
[N+:1]([C:4]1[CH:9]=[CH:8][N+:7]([O-])=[CH:6][C:5]=1F)([O-:3])=[O:2].[NH2:12][C:13]1[CH:14]=[C:15]2[C:19](=[C:20]([Cl:22])[CH:21]=1)[NH:18][C:17]([CH3:23])=[C:16]2[CH3:24].C([OH:27])C>>[N+:1]([C:4]1[CH:9]=[CH:8][N:7]=[CH:6][C:5]=1[NH+:12]([O-:27])[C:13]1[CH:14]=[C:15]2[C:19](=[C:20]([Cl:22])[CH:21]=1)[NH:18][C:17]([CH3:23])=[C:16]2[CH3:24])([O-:3])=[O:2] | 1 |
[N+](=[C:3]([CH:8]=[CH:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)[C:4]([O:6][CH3:7])=[O:5])=[N-].[CH2:16]=[CH:17]/[CH:18]=[CH:19]\[CH3:20]>CCCCC>[CH3:20][C@@H:19]1[CH:18]=[CH:17][CH2:16][C:3]([C:4]([O:6][CH3:7])=[O:5])=[CH:8][C@H:9]1[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1 | 1 |
C(C)(=S)N.C(C)(C)N1N=NC2=C1C=CC(=C2)C#N>Cl.O1CCOCC1>C(C)(C)N1N=NC2=C1C=CC(=C2)C(N)=S | 3 |
[C:1]([O:5][C:6]([NH:8][CH2:9][C@H:10]1[CH2:15][CH2:14][C@H:13]([C:16]([NH:18][C@@H:19]([CH2:23][C:24]2[CH:29]=[CH:28][C:27]([C:30]3[CH:35]=[CH:34][C:33]([C:36](=[O:42])[NH:37][CH:38]4[CH2:41]C[CH2:39]4)=[CH:32][C:31]=3[CH3:43])=[CH:26][CH:25]=2)[C:20](O)=[O:21])=[O:17])[CH2:12][CH2:11]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[NH2:44][C:45]1[CH:46]=[C:47]([C:54]([O:56][CH3:57])=[O:55])[C:48]2[CH:49]=[N:50][NH:51][C:52]=2[CH:53]=1.C(N(CC)C(C)C)(C)C.C(P1(=O)OP(=O)(CCC)OP(=O)(CCC)O1)CC>C(OCC)(=O)C.CS(C)=O>[C:1]([O:5][C:6]([NH:8][CH2:9][C@H:10]1[CH2:15][CH2:14][C@H:13]([C:16]([NH:18][C@@H:19]([CH2:23][C:24]2[CH:25]=[CH:26][C:27]([C:30]3[CH:35]=[CH:34][C:33]([C:36](=[O:42])[NH:37][CH:38]([CH3:39])[CH3:41])=[CH:32][C:31]=3[CH3:43])=[CH:28][CH:29]=2)[C:20]([NH:44][C:45]2[CH:46]=[C:47]([C:54]([O:56][CH3:57])=[O:55])[C:48]3[CH:49]=[N:50][NH:51][C:52]=3[CH:53]=2)=[O:21])=[O:17])[CH2:12][CH2:11]1)=[O:7])([CH3:2])([CH3:3])[CH3:4] | 2 |
BrC=1C2=C(C(NC1)=O)C(=NN2C2=C(C=CC=C2F)F)C2=CC=C(C=C2)CC#N>O(O[H])[H].C([O-])([O-])=O.[K+].[K+].CS(=O)C>BrC=1C2=C(C(NC1)=O)C(=NN2C2=C(C=CC=C2F)F)C2=CC=C(C=C2)CC(=O)N | 3 |
C(C1=CC=CC=C1)OC(CBr)=O.N1CCCC2CCC3=CC=CN=C3C12>CC#N.ClCCl.C([O-])([O-])=O.[K+].[K+].[I-].[K+]>N1(CCCC2CCC3=CC=CN=C3C12)CC(=O)OCC1=CC=CC=C1 | 3 |
CC1(N=C(C2=C3C(=C(C=C2C1)O)OC(C3)(C)C)C3=CC=CC=C3)C>S(O)(O)(=O)=O.CC(C)O>CC1(N=C(C2=C3C(=C(C(=C2C1)CCC)O)OC(C3)(C)C)C3=CC=CC=C3)C | 3 |
[N+](=O)([O-])C1=CC=C(C(=O)OC(C#C[Si](C)(C)C)(C(F)(F)F)CC)C=C1>>[N+](=O)([O-])C1=CC=C(C(=O)OC(C#C)(C(F)(F)F)CC)C=C1 | 5 |
NC1=NC=CC=C1.C(C)(C)(C)N(O[Si](C)(C)C(C)(C)C)C1=CC=C(C(=O)O)C=C1>>C(C)(C)(C)N(O[Si](C)(C)C(C)(C)C)C1=CC=C(C(=O)NC2=NC=CC=C2)C=C1 | 5 |
C(C)OC(C(C(C(=C)C1CCN(CC1)C(C)=O)O)NC=O)=O>O.ClCCCl.S(=O)(Br)Br>C(C)OC(C(C=C(CBr)C1CCN(CC1)C(C)=O)NC=O)=O | 3 |
BrCCC(=O)O.[N+](=O)([O-])C1=CC=C(C=C1)S>[OH-].[K+]>[N+](=O)([O-])C1=CC=C(C=C1)SCCC(=O)O | 3 |
OCC1=NC=CC(=C1C)OCCCOC>>ClCC1=NC=CC(=C1C)OCCCOC | 5 |
C(C1=CC=CC=C1)OC1=CC=C2CCC(CC2=C1)OC(C)=O>>C(C1=CC=CC=C1)OC1=C(C=C2CCC(CC2=C1)OC(C)=O)[N+](=O)[O-] | 5 |
FC1=C(C=C(C=C1)C#N)C=O>>C(#N)C=1C=CC(=C(C(=O)O)C1)F | 5 |
C(C)(=O)O[C@@H]1[C@@](O[C@H](C1)N1C2=NC(=NC(=C2N=C1)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=C(C=C1)OC)F)(C#C)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C>C1CCCO1.CO[H].C[O-].[Na+].C(C)(=O)O>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC[C@]1(O[C@H](C[C@@H]1O)N1C2=NC(=NC(=C2N=C1)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=C(C=C1)OC)F)C#C | 3 |
C(C1=CC=CC=C1)OC=1C=NC2=C(C=CN=C2C1)Cl.Cl.ClC1=CC=C(C=C1)C1=NN=C(C2=CC=CC=C12)NC1=CC=C(C=C1)O>>C(C1=CC=CC=C1)OC1=CN=C2C(=CC=NC2=C1)OC1=CC=C(C=C1)NC1=NN=C(C2=CC=CC=C12)C1=CC=C(C=C1)Cl | 5 |
C(O[C:6](=[O:20])[NH:7][C@H:8]([CH:17]1[CH2:19][CH2:18]1)[C:9]([N:11]1[CH2:14][CH:13]([C:15]#[N:16])[CH2:12]1)=[O:10])(C)(C)C.FC(F)(F)C(O)=O.[Br:28][C:29]1[N:30]=[C:31]2[C:37](C(O)=O)=[CH:36][N:35]([CH2:41][O:42][CH2:43][CH2:44][Si:45]([CH3:48])([CH3:47])[CH3:46])[C:32]2=[N:33][CH:34]=1.F[B-](F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2C=CC=CC=2N=N1.C(N(CC)C(C)C)(C)C>ClCCl.C(OCC)(=O)C.O>[C:15]([CH:13]1[CH2:12][N:11]([C:9](=[O:10])[C@H:8]([NH:7][C:6]([C:37]2[C:31]3[C:32](=[N:33][CH:34]=[C:29]([Br:28])[N:30]=3)[N:35]([CH2:41][O:42][CH2:43][CH2:44][Si:45]([CH3:48])([CH3:47])[CH3:46])[CH:36]=2)=[O:20])[CH:17]2[CH2:18][CH2:19]2)[CH2:14]1)#[N:16] | 1 |
O(C1=CC=CC=C1)C=1C=C(C=CC(=O)C=2NC=CC2)C=CC1>CCO[H].[HH].[Pd]>O(C1=CC=CC=C1)C=1C=C(C=CC1)CCC(=O)C=1NC=CC1 | 3 |
ClC1=C(C=CC=C1)O>>OC1=C(C=C(C=C1)C(C)=O)Cl | 5 |
ClC1=CC=C(C=C1)C(O)C1CCN(CC1)C>C1(=CC=CC=C1)C.ClS(Cl)=O.[OH-].[Na+]>CN1CCC(CC1)C(=O)C1=CC=CC=C1 | 3 |
C(C=C)N1C(=NC2=C1C=CC(=C2)C(=O)OC)C=2C=CC=1N(C3=CC=CC=C3C1C2)CC>ClCCl.CCO[H].[OH-].[Na+]>C(C=C)N1C(=NC2=C1C=CC(=C2)C(=O)O)C=2C=CC=1N(C3=CC=CC=C3C1C2)CC | 3 |
C=1(O)C(O)=CC=CC1.ClC=1N=NC(=CC1Cl)Cl>>ClC1=CC2=C(N=N1)OC1=C(O2)C=CC=C1 | 5 |
[CH3:1][O:2][C:3](=[O:18])[C:4](=[CH:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[N+:15]([O-:17])=[O:16])[C:5]([CH3:7])=O.[CH3:19][N:20]1[C:24]([NH2:25])=[CH:23][C:22]([CH3:26])=[N:21]1>C(O)C>[CH3:1][O:2][C:3]([C:4]1[CH:8]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=2[N+:15]([O-:17])=[O:16])[C:23]2[C:22]([CH3:26])=[N:21][N:20]([CH3:19])[C:24]=2[NH:25][C:5]=1[CH3:7])=[O:18] | 1 |
Cl[C:2]1[N:11]=[C:10]([N:12]2[CH2:16][CH2:15][C@H:14]([NH:17][C:18](=[O:20])[CH3:19])[CH2:13]2)[C:9]2[C:4](=[C:5]([O:21][CH3:22])[CH:6]=[CH:7][CH:8]=2)[N:3]=1.[F:23][C:24]([F:34])([F:33])[C:25]1[CH:26]=[C:27]([NH2:32])[CH:28]=[C:29]([NH2:31])[CH:30]=1>>[NH2:31][C:29]1[CH:28]=[C:27]([NH:32][C:2]2[N:11]=[C:10]([N:12]3[CH2:16][CH2:15][C@H:14]([NH:17][C:18](=[O:20])[CH3:19])[CH2:13]3)[C:9]3[C:4](=[C:5]([O:21][CH3:22])[CH:6]=[CH:7][CH:8]=3)[N:3]=2)[CH:26]=[C:25]([C:24]([F:23])([F:33])[F:34])[CH:30]=1 | 2 |
C(C1=CC=CC=C1)OC1=C(C(=O)OC)C=CC=C1N(C)C>C1CCCO1.[BH4-].[Li+]>C(C1=CC=CC=C1)OC1=C(C=CC=C1N(C)C)CO | 3 |
FC=1C=CC=2N(C1)C=C(N2)C(=O)N[C@@H]2CC[C@@H](CC2)N2C(N(C1=C(C2=O)C=C(C=N1)F)C1=CC(=CC=C1)I)=O>CS(=O)C.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C1(=CC=CC=C1)P([C-]1C=CC=C1)C1=CC=CC=C1.[C-]1(C=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.[Fe+2].C(C)(=O)[O-].[K+]>FC=1C=CC=2N(C1)C=C(N2)C(=O)N[C@@H]2CC[C@@H](CC2)N2C(N(C1=C(C2=O)C=C(C=N1)F)C1=CC(=CC=C1)B1OC(C(O1)(C)C)(C)C)=O | 3 |
ClC=1C(=CC(=C(C1)C=1CCN(CC1)C(=O)OC(C)(C)C)C(CC)=O)C>>ClC=1C(=CC(=C(C1)C1CCN(CC1)C(=O)OC(C)(C)C)C(CC)O)C | 5 |
[N:1]1([CH2:6][CH2:7][CH2:8][NH2:9])[CH:5]=[CH:4][N:3]=[CH:2]1.[F:10][C:11]1[CH:18]=[CH:17][CH:16]=[CH:15][C:12]=1[CH:13]=O.C([O:21][C:22](=O)[C:23](=[O:31])[CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)C>C(O)C>[F:10][C:11]1[CH:18]=[CH:17][CH:16]=[CH:15][C:12]=1[CH:13]1[N:9]([CH2:8][CH2:7][CH2:6][N:1]2[CH:5]=[CH:4][N:3]=[CH:2]2)[C:22](=[O:21])[C:23]([OH:31])=[C:24]1[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1 | 1 |
[C:1]([O:5][C:6](=O)[CH2:7][NH:8][CH2:9][CH:10](OC)OC)([CH3:4])([CH3:3])[CH3:2].C([O:23][C:24]([NH:26][C@H:27]([C:34]([OH:36])=[O:35])COC(C)(C)C)=O)C1C=CC=CC=1>>[C:1]([O:5][CH2:6][C@@H:7]1[NH:8][CH2:9][CH2:10][N:26]([CH2:27][C:34]([OH:36])=[O:35])[C:24]1=[O:23])([CH3:2])([CH3:3])[CH3:4] | 1 |
[CH3:1][O:2][C:3]1[C:8]2[N:9]=[C:10]([NH:12][C:13](=[O:23])[C:14]3[CH:19]=[CH:18][C:17]([CH2:20][NH:21][CH3:22])=[CH:16][CH:15]=3)[S:11][C:7]=2[C:6]([N:24]2[CH2:29][CH2:28][O:27][CH2:26][CH2:25]2)=[CH:5][CH:4]=1.[CH:30]1([C:33](Cl)=[O:34])[CH2:32][CH2:31]1>>[CH:30]1([C:33]([N:21]([CH2:20][C:17]2[CH:16]=[CH:15][C:14]([C:13]([NH:12][C:10]3[S:11][C:7]4[C:6]([N:24]5[CH2:25][CH2:26][O:27][CH2:28][CH2:29]5)=[CH:5][CH:4]=[C:3]([O:2][CH3:1])[C:8]=4[N:9]=3)=[O:23])=[CH:19][CH:18]=2)[CH3:22])=[O:34])[CH2:32][CH2:31]1 | 1 |
[F:1][C:2]([F:21])([F:20])[C:3]1[CH:4]=[C:5]([C@H:13]2[O:17][C:16](=[O:18])[NH:15][C@H:14]2[CH3:19])[CH:6]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:8]=1.[H-].[Na+].Br[CH2:25][C:26]1[CH:31]=[C:30]([C:32]([F:35])([F:34])[F:33])[CH:29]=[CH:28][C:27]=1[I:36]>>[F:21][C:2]([F:1])([F:20])[C:3]1[CH:4]=[C:5]([C@H:13]2[O:17][C:16](=[O:18])[N:15]([CH2:25][C:26]3[CH:31]=[C:30]([C:32]([F:33])([F:35])[F:34])[CH:29]=[CH:28][C:27]=3[I:36])[C@H:14]2[CH3:19])[CH:6]=[C:7]([C:9]([F:10])([F:11])[F:12])[CH:8]=1 | 1 |
C(C1=CC=CC=C1)N1CC2(COC2)C(C1)[N+](=O)[O-]>O.CO[H].[Fe].[Cl-].[NH4+]>C(C1=CC=CC=C1)N1CC2(COC2)C(C1)N | 3 |
C([O-])([O-])=O.[K+].[K+].[N+](C1C=C([N+]([O-])=O)C=CC=1[O-])([O-])=O.[NH2:20][N+:21]1[CH:26]=[CH:25][C:24]([NH:27][C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])=[C:23]([F:35])[CH:22]=1.[C:36]([O:40][CH2:41][CH3:42])(=[O:39])[C:37]#[CH:38]>C1COCC1>[C:31]([O:30][C:28]([NH:27][C:24]1[CH:25]=[CH:26][N:21]2[N:20]=[CH:38][C:37]([C:36]([O:40][CH2:41][CH3:42])=[O:39])=[C:22]2[C:23]=1[F:35])=[O:29])([CH3:32])([CH3:34])[CH3:33] | 1 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]([NH:9][C:10]1[C:11]([C:15]([OH:17])=O)=[N:12][NH:13][CH:14]=1)=[O:8].[CH2:18]([NH2:25])[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1.C1C=CC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C>CN(C=O)C.O>[CH2:18]([NH:25][C:15]([C:11]1[C:10]([NH:9][C:7]([C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][N:1]=2)=[O:8])=[CH:14][NH:13][N:12]=1)=[O:17])[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1 | 2 |
NC=1C(=CC(=NC1)C1=CC=C(C=C1)F)C1=NN(C=C1)CC=1C=C(C(=O)NC)C=CC1>CC#N.[Cu](Br)Br.N(=O)OC(C)(C)C>BrC=1C(=CC(=NC1)C1=CC=C(C=C1)F)C1=NN(C=C1)CC=1C=C(C(=O)NC)C=CC1 | 3 |
[OH:1][CH2:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[CH2:14][CH2:13][N:12]([C:15](=[O:17])[CH3:16])[CH2:11][CH2:10]2)=[CH:5][CH:4]=1.[N:18]1([CH2:23][C:24]2([C:30]3[CH:35]=[CH:34][C:33]([F:36])=[CH:32][C:31]=3[F:37])[O:28][CH:27](S)[CH2:26][O:25]2)[CH:22]=[N:21][CH:20]=[N:19]1>ClCCCl.[I-].[Zn+2].[I-]>[N:18]1([CH2:23][C:24]2([C:30]3[CH:35]=[CH:34][C:33]([F:36])=[CH:32][C:31]=3[F:37])[O:28][CH:27]([O:1][CH2:2][C:3]3[CH:4]=[CH:5][C:6]([N:9]4[CH2:10][CH2:11][N:12]([C:15](=[O:17])[CH3:16])[CH2:13][CH2:14]4)=[CH:7][CH:8]=3)[CH2:26][O:25]2)[CH:22]=[N:21][CH:20]=[N:19]1 | 2 |
BrC=1C=NC=C(C1)[N+](=O)[O-]>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+]>[N+](=O)([O-])C=1C=C(C=NC1)B(O)O | 3 |
C(C1=CC=CC=C1)C1=C(OC2=C1C=C(C=C2Br)C)C#N>>C(C)(C)(C)OC(=O)N1CCN(CC1)C1=CC(=CC=2C(=C(OC21)C#N)CC2=CC=CC=C2)C | 5 |
ICI.NC1=NC(=CC(=N1)Cl)Cl>[Cu]I.C1CCCO1.C(C)(=O)OCC.N(=O)OCCC(C)C>ClC1=NC(=NC(=C1)Cl)I | 3 |
FC=1C=C(C=CC1F)N1C(CCCC12CCN(CC2)C2=NC(=NC(=C2)O[C@H]2COC[C@H]2F)S(=O)(=O)C)=O>N(C)(C)C=O.[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])C1=NC(=CC(=N1)N1CCC2(CCCC(N2C2=CC(=C(C=C2)F)F)=O)CC1)O[C@H]1COC[C@H]1F | 3 |
OC1=C(C=CC=C1)C1=CC(=NO1)C(=O)OCC>>C(C)(C)OC1=C(C=CC=C1)C1=CC(=NO1)C(=O)OCC | 5 |
C[O:2][C:3](=[O:26])[C:4]1[CH:9]=[CH:8][C:7]([O:10][CH2:11][C:12]2[C:13]([C:19]3[CH:24]=[CH:23][C:22]([Cl:25])=[CH:21][CH:20]=3)=[N:14][O:15][C:16]=2[CH2:17][OH:18])=[N:6][CH:5]=1.O.[OH-].[Li+].Cl>C1COCC1.CO.O>[Cl:25][C:22]1[CH:23]=[CH:24][C:19]([C:13]2[C:12]([CH2:11][O:10][C:7]3[CH:8]=[CH:9][C:4]([C:3]([OH:26])=[O:2])=[CH:5][N:6]=3)=[C:16]([CH2:17][OH:18])[O:15][N:14]=2)=[CH:20][CH:21]=1 | 1 |
C(C)(C)(C)[Si](C)(C)Cl.OCCC1CC(CC1)=O>c1cnc[nH]1.ClCCl>[Si](C)(C)(C(C)(C)C)OCCC1CC(CC1)=O | 3 |
BrCC(=O)OCC.C(C)(C)(C)OC(NC1=CC=C(C2=CC=CC=C12)O)=O>CC(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)OC(COC1=CC=C(C2=CC=CC=C12)NC(=O)OC(C)(C)C)=O | 3 |
[NH:1]1[CH:5]=[C:4]([C:6]([O:8][CH2:9][CH3:10])=[O:7])[N:3]=[CH:2]1.C(N(CC)CC)C.[C:18](Cl)([C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1)([C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1>C(Cl)(Cl)Cl>[C:18]([N:1]1[CH:5]=[C:4]([C:6]([O:8][CH2:9][CH3:10])=[O:7])[N:3]=[CH:2]1)([C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)([C:31]1[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=1)[C:25]1[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=1 | 1 |
COC(C1=C(C=CC=C1O)OCCCCNC(/C(=C\C1=CC(=C(C=C1)N1S(NC(C1)=O)(=O)=O)OCC1=CC=CC=C1)/NC(C)=O)=O)=O>[HH].[Pd].C(C)(=O)O.C(C)O>COC(C1=C(C=CC=C1O)OCCCCNC(C(CC1=CC(=C(C=C1)N1S(NC(C1)=O)(=O)=O)O)NC(C)=O)=O)=O | 3 |
O1CCOC2=C1C=CC(=C2)B(O)O.ClC1=CC(=C(C=C1)C(=O)N[C@H](C(=O)OC)C1CCCCC1)NC(=O)NC1=C(C=C(C=C1C)C)C>>C1(CCCCC1)[C@@H](C(=O)OC)NC(=O)C1=C(C=C(C=C1)C1=CC2=C(OCCO2)C=C1)NC(=O)NC1=C(C=C(C=C1C)C)C | 5 |
O1[C:5]2([CH2:10][CH2:9][N:8]([C:11]3[CH:16]=[CH:15][C:14]([N:17]4[CH2:21][C@H:20]([CH2:22][O:23][C:24]5[CH:28]=[CH:27][O:26][N:25]=5)[O:19][C:18]4=[O:29])=[CH:13][C:12]=3[F:30])[CH2:7][CH2:6]2)[O:4]CC1>C(O)(=O)C.O>[O:4]=[C:5]1[CH2:6][CH2:7][N:8]([C:11]2[CH:16]=[CH:15][C:14]([N:17]3[CH2:21][C@H:20]([CH2:22][O:23][C:24]4[CH:28]=[CH:27][O:26][N:25]=4)[O:19][C:18]3=[O:29])=[CH:13][C:12]=2[F:30])[CH2:9][CH2:10]1 | 1 |
C[B-](F)(F)F.[K+].ClC1=NC(=NC(=C1)Cl)C(F)(F)F>C1(=CC=CC=C1)C.O.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=NC(=NC(=C1)C)C(F)(F)F | 3 |
C[O:2][C:3](=[O:33])[CH2:4][CH2:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1[O:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][O:18][C:19]1[C:28]2[CH2:27][CH2:26][CH2:25][C:24](=[O:29])[C:23]=2[CH:22]=[CH:21][C:20]=1[CH2:30][CH2:31][CH3:32].[OH-].[Na+].Cl.CCOCC>CO.O>[O:29]=[C:24]1[CH2:25][CH2:26][CH2:27][C:28]2[C:19]([O:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][O:12][C:7]3[CH:8]=[CH:9][CH:10]=[CH:11][C:6]=3[CH2:5][CH2:4][C:3]([OH:33])=[O:2])=[C:20]([CH2:30][CH2:31][CH3:32])[CH:21]=[CH:22][C:23]1=2 | 1 |
C1(CCCCC1)S(=O)(=O)C1=CC=C(C#N)C=C1>C1CCCO1.B.C1CCOC1>C1(CCCCC1)S(=O)(=O)C1=CC=C(CN)C=C1 | 3 |
C(OC([N:8]1[CH2:17][CH2:16][C:15]2[C@:10]([CH2:28][O:29][CH3:30])([CH2:11][C:12]3[CH:20]=[N:19][N:18]([C:21]4[CH:26]=[CH:25][C:24]([F:27])=[CH:23][CH:22]=4)[C:13]=3[CH:14]=2)[CH2:9]1)=O)(C)(C)C.[Br:31][C:32]1[CH:37]=[CH:36][C:35]([S:38](Cl)(=[O:40])=[O:39])=[CH:34][CH:33]=1>>[Br:31][C:32]1[CH:37]=[CH:36][C:35]([S:38]([N:8]2[CH2:17][CH2:16][C:15]3[C@:10]([CH2:28][O:29][CH3:30])([CH2:11][C:12]4[CH:20]=[N:19][N:18]([C:21]5[CH:22]=[CH:23][C:24]([F:27])=[CH:25][CH:26]=5)[C:13]=4[CH:14]=3)[CH2:9]2)(=[O:40])=[O:39])=[CH:34][CH:33]=1 | 2 |
ClC1=CC=C(C=C1)N1C(=NC2=C(C(=CC=C2C1=O)NCCO)I)C(C)C>CC#N.[Cu]I.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=CC=C(C=C1)N1C(=NC2=C3OCCNC3=CC=C2C1=O)C(C)C | 3 |
[CH3:1][C:2]([C:5]1[N:9](C)[C:8]2[CH:11]=[C:12](C#N)[CH:13]=[CH:14][C:7]=2[N:6]=1)([CH3:4])[CH3:3].NC1C=CC(C#N)=CC=1NC.CC(C=O)(C)C>CC(O)=O.O.CC([O-])=O.CC([O-])=O.[Cu+2]>[C:2]([C:5]1[NH:9][C:8]2[CH:11]=[CH:12][CH:13]=[CH:14][C:7]=2[N:6]=1)([CH3:4])([CH3:1])[CH3:3] | 2 |
S1C=CC=C1.IC[C@H](CC)C>>C[C@H](CC=1SC=CC1)CC | 5 |
Cl.CN(C)CCCN=C=NCC.N1C=CC=CC=1.[CH3:19][N:20]1[C:25](=[O:26])[CH:24]=[C:23]([N:27]2[CH2:32][CH2:31][O:30][CH2:29][CH2:28]2)[N:22]=[C:21]1[CH2:33][C:34]([O-:36])=O.[Na+].[F:38][C:39]1[CH:47]=[CH:46][CH:45]=[C:44]2[C:40]=1[CH2:41][CH:42]([CH3:48])[NH:43]2>CN(C)C=O.C(OCC)(=O)C.O>[F:38][C:39]1[CH:47]=[CH:46][CH:45]=[C:44]2[C:40]=1[CH2:41][CH:42]([CH3:48])[N:43]2[C:34](=[O:36])[CH2:33][C:21]1[N:20]([CH3:19])[C:25](=[O:26])[CH:24]=[C:23]([N:27]2[CH2:28][CH2:29][O:30][CH2:31][CH2:32]2)[N:22]=1 | 1 |
[Cl:1][C:2]1[CH:3]=[N:4][C:5]([N:24]2[CH2:27][CH:26]([O:28][C:29]3[CH:34]=[CH:33][CH:32]=[C:31]([F:35])[CH:30]=3)[CH2:25]2)=[C:6]([CH:23]=1)[C:7]([NH:9][C:10]1([C:13]2[CH:22]=[CH:21][C:16]([C:17]([O:19]C)=[O:18])=[CH:15][N:14]=2)CC1)=[O:8].O.[OH-].[Li+]>>[Cl:1][C:2]1[CH:3]=[N:4][C:5]([N:24]2[CH2:25][CH:26]([O:28][C:29]3[CH:34]=[CH:33][CH:32]=[C:31]([F:35])[CH:30]=3)[CH2:27]2)=[C:6]([CH:23]=1)[C:7]([NH:9][CH2:10][C:13]1[CH:22]=[CH:21][C:16]([C:17]([OH:19])=[O:18])=[CH:15][N:14]=1)=[O:8] | 1 |
OCC=1C(NC(=CC1)C)=O>>CC=1C(NC(=CC1)C)=O | 5 |
CS(=O)(=O)OC1CCC(CC1)C(=O)OC.[N+](=O)([O-])C=1C(=NNC1)C(=O)OC(C)(C)C>>COC(=O)C1CCC(CC1)N1N=C(C(=C1)[N+](=O)[O-])C(=O)OC(C)(C)C | 5 |
[CH2:1]([C@H:8]([NH:26][C:27]([C:29]1[N:33]2[CH2:34][CH2:35][N:36]([C:38]([O:40][C:41]([CH3:44])([CH3:43])[CH3:42])=[O:39])[CH2:37][C:32]2=[C:31]([C:45](O)=[O:46])[CH:30]=1)=[O:28])[C@H:9]([OH:25])[CH2:10][NH:11][C:12]1([C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([C:21]([F:24])([F:23])[F:22])[CH:16]=2)[CH2:14][CH2:13]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:48]([NH:50][CH2:51][CH3:52])[CH3:49].OC1C2N=NNC=2C=CC=1.C(N(CC)C(C)C)(C)C.Cl.CN(C)CCCN=C=NCC>ClCCl.CN(C)C1C=CN=CC=1>[CH2:1]([C@H:8]([NH:26][C:27]([C:29]1[N:33]2[CH2:34][CH2:35][N:36]([C:38]([O:40][C:41]([CH3:44])([CH3:42])[CH3:43])=[O:39])[CH2:37][C:32]2=[C:31]([C:45](=[O:46])[N:50]([CH2:51][CH3:52])[CH2:48][CH3:49])[CH:30]=1)=[O:28])[C@H:9]([OH:25])[CH2:10][NH:11][C:12]1([C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([C:21]([F:22])([F:23])[F:24])[CH:16]=2)[CH2:13][CH2:14]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
CI.BrC=1C=C2C(CC(OC2=CC1O)(C)C)=O>C([O-])([O-])=O.[K+].[K+].CC(=O)C>BrC=1C=C2C(CC(OC2=CC1OC)(C)C)=O | 3 |
N1C=CC2=C(C=CC=C12)C=1C=C(C=2C=NNC2C1)N.Cl.CN1CC(OCC1)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>N1C=CC2=C(C=CC=C12)C1=CC(=C2C=NNC2=C1)NC(=O)C1CN(CCO1)C | 3 |
C(C)(=O)OC=1C=[N+](C2=CC=C(C=C2C1)Br)[O-]>>BrC=1C=C2C=C(C=[N+](C2=CC1)[O-])O | 5 |
CS(=O)(=O)C=1C=C(C=NC1)B(O)O.BrC1=NN(C2=NC(=NC=C21)N)C>O1CCOCC1.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]>CS(=O)(=O)C=1C=C(C=NC1)C1=NN(C2=NC(=NC=C21)N)C | 3 |
NC1=C(C=CC(=C1)C(F)(F)F)NC(C1=CN=C(C=C1)Cl)=O>>NC1=C(C=CC(=C1)C(F)(F)F)NC(C1=CN=C(C=C1)NCCN)=O | 5 |
C(C)[S-].[Na+].COC=1C=CC(=C2C=NC=NC12)C1=CC=C(C(=O)NC2=NC=CC=C2)C=C1>N(C)(C)C=O.O>OC=1C=CC(=C2C=NC=NC12)C1=CC=C(C(=O)NC2=NC=CC=C2)C=C1 | 3 |
C1(CC1)C#C.Cl\C(\C=1C=CC=2N(N1)C(=NN2)CNC(OC(C)(C)C)=O)=N/O>C([O-])(O)=O.[K+].C(C)(=O)OCC>C1(CC1)C1=CC(=NO1)C=1C=CC=2N(N1)C(=NN2)CN | 3 |
BrC1=C(C(=CC=C1)C(F)F)C>CC#N.O.BrN1C(CCC1=O)=O.CC(C)(C#N)/N=N/C(C)(C)C#N>BrC1=C(C(=CC=C1)C(F)F)CBr | 3 |
C1[C@H](C)O1.SC1=CC=C(C(=O)OC)C=C1>>O[C@H](CSC1=CC=C(C(=O)OC)C=C1)C | 3 |
ClC=1N=CN(C1)C1=C(C=C(N)C=C1)OC.ClC=1N=C(C2=C(N1)C(CC2)C2=C(C=C(C=C2)F)F)NC>>ClC=1N=CN(C1)C1=C(C=C(C=C1)NC=1N=C(C2=C(N1)C(CC2)C2=C(C=C(C=C2)F)F)NC)OC | 5 |
[F:1][C:2]([F:24])([F:23])[C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[CH:13]=C)[N:9]1[CH:15]=[CH:16][N:17]=[C:8]1[C:7]([NH:18][CH2:19][CH2:20][CH2:21][OH:22])=[N:6]2.C[N+]1([O-])CC[O:29]CC1.I([O-])(=O)(=O)=O.[Na+]>CC(C)=O.O.[Os](=O)(=O)(=O)=O>[OH:22][CH2:21][CH2:20][CH2:19][NH:18][C:7]1[C:8]2[N:9]([CH:15]=[CH:16][N:17]=2)[C:10]2[C:5]([N:6]=1)=[CH:4][C:3]([C:2]([F:1])([F:23])[F:24])=[C:12]([CH:13]=[O:29])[CH:11]=2 | 1 |
C(C)(=O)OC(C)=O.NC1=NNC2=C1C(=NC(=C2)NC(=O)N[C@H](C)C2=CC=CC=C2)C>CC#N.O.C1CCCO1.ClCCl.c1ccncc1.[OH-].[Na+].C(C)(=O)Cl>CC1=NC(=CC2=C1C(=NN2)NC(C)=O)NC(=O)N[C@H](C)C2=CC=CC=C2 | 3 |
Br[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH:7]=[CH2:8].[S:9]([C:13]1[CH:19]=[CH:18][C:16]([CH3:17])=[CH:15][CH:14]=1)([OH:12])(=[O:11])=[O:10].[CH3:20][NH:21]CCCCC=C>>[S:9]([C:13]1[CH:19]=[CH:18][C:16]([CH3:17])=[CH:15][CH:14]=1)([OH:12])(=[O:11])=[O:10].[CH3:20][NH:21][CH2:2][CH2:3][CH2:4][CH2:5][CH:6]=[CH:7][CH3:8] | 1 |
[CH3:1][NH:2][C@H:3]1[CH2:11][C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[C@H:4]1[OH:12].[H-].[Na+].[Cl:15][C:16]1[CH:21]=[CH:20][C:19](F)=[CH:18][C:17]=1[Cl:23]>>[ClH:15].[Cl:15][C:16]1[CH:21]=[C:20]([CH:19]=[CH:18][C:17]=1[Cl:23])[O:12][C@@H:4]1[C:5]2[C:10](=[CH:9][CH:8]=[CH:7][CH:6]=2)[CH2:11][C@@H:3]1[NH:2][CH3:1] | 1 |
C([S:4][CH:5]1[CH2:8][N:7]([C:9]([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10])[CH2:6]1)(=O)C.C(=O)([O-])[O-].[K+].[K+].Cl>CO>[SH:4][CH:5]1[CH2:6][N:7]([C:9]([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10])[CH2:8]1 | 1 |
C(C)(=O)Cl.NC1=NC=C(C=C1C)Br>O.CN(C1=CC=CC=C1)C>BrC=1C=C(C(=NC1)NC(C)=O)C | 3 |
N1=C(C=CC=C1)C(C=CC(=O)O)=O>CO[H].[OH-].[K+].NN>N1=C(C=CC=C1)C1=NNC(C1)C(=O)O | 3 |
I/C=C(/CC[C@@H]1CC(OC[C@H]1[C@@H](COCC1=CC=C(C=C1)OC)C=C)=O)\C>C1CCCO1.CO[H].[OH-].[Na+].C1=CC=CC=C1.B1C2CCCC1CCC2>OCC[C@H](COCC1=CC=C(C=C1)OC)[C@H]1[C@@H](CC(OC1)O)CC\C(=C\I)\C | 3 |
[CH3:1][O:2][C:3]([C:5]1[C:6]([NH:15][C:16]2[CH:21]=[CH:20][C:19]([CH:22]=[CH2:23])=[CH:18][C:17]=2[F:24])=[C:7]([F:14])[C:8]2[N:9]([CH:11]=[CH:12][N:13]=2)[CH:10]=1)=[O:4]>C(O)C.[Pd]>[CH3:1][O:2][C:3]([C:5]1[C:6]([NH:15][C:16]2[CH:21]=[CH:20][C:19]([CH2:22][CH3:23])=[CH:18][C:17]=2[F:24])=[C:7]([F:14])[C:8]2[N:9]([CH:11]=[CH:12][N:13]=2)[CH:10]=1)=[O:4] | 1 |
C(C)(=O)O[C@@H]1CC[C@H](CC1)CCCCCC(=O)O>ClS(Cl)=O>C(C)(=O)O[C@@H]1CC[C@H](CC1)CCCCCC(=O)OOC(CCCCC[C@@H]1CC[C@H](CC1)OC(C)=O)=O | 3 |
N(=[N+]=[N-])C[C@@H](C)N1C(C2=CC=C(C(=C2C=C1)NC(CC1=CC(=C(C=C1)C(F)(F)F)F)=O)C)=O>>NC[C@@H](C)N1C(C2=CC=C(C(=C2C=C1)NC(CC1=CC(=C(C=C1)C(F)(F)F)F)=O)C)=O | 5 |
[I-].[CH3:2][S+](C)(C)=[O:4].[H-].[Na+].[NH2:9][C:10]1[N:15]=[CH:14][N:13]=[C:12]2[N:16]([C@H:35]3[CH2:40][CH2:39][C@H:38]([N:41]4[CH2:46][CH2:45][N:44]([CH3:47])[CH2:43][CH2:42]4)[CH2:37][CH2:36]3)[N:17]=[C:18]([C:19]3[CH:24]=[CH:23][C:22]([N:25]=[CH:26][C:27]4[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=4[OH:33])=[C:21]([Cl:34])[CH:20]=3)[C:11]=12>CS(C)=O>[C:28]([OH:33])(=[O:4])[CH3:29].[Cl:34][C:21]1[CH:20]=[C:19]([C:18]2[C:11]3[C:12](=[N:13][CH:14]=[N:15][C:10]=3[NH2:9])[N:16]([C@H:35]3[CH2:36][CH2:37][C@H:38]([N:41]4[CH2:42][CH2:43][N:44]([CH3:47])[CH2:45][CH2:46]4)[CH2:39][CH2:40]3)[N:17]=2)[CH:24]=[CH:23][C:22]=1[NH:25][CH:26]1[CH2:2][O:33][C:28]2[CH:29]=[CH:30][CH:31]=[CH:32][C:27]1=2 | 1 |
ClC(C(OC(C)(C)C)=N)(Cl)Cl.C(C)(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)C)C(=O)O>ClCCl>C(C)(C)(C)OC(=O)N[C@@H](C(=O)OC(C)(C)C)CC1=CC=C(C=C1)C | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[C:10]([CH:15]=O)=[N:11][CH:12]=[CH:13][CH:14]=2)=[CH:5][CH:4]=1.[CH3:17][C:18]([S@@:21]([NH2:23])=[O:22])([CH3:20])[CH3:19]>C(Cl)Cl.S([O-])([O-])(=O)=O.[Cu+2]>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[C:10]([CH:15]=[N:23][S@:21]([C:18]([CH3:20])([CH3:19])[CH3:17])=[O:22])=[N:11][CH:12]=[CH:13][CH:14]=2)=[CH:5][CH:4]=1 | 2 |
[N+](=O)([O-])C1=CC=C(C=C1)OC(=O)N1C(NC(=C(C1C1=CC(=C(C=C1)F)F)C(=O)OC)COC)=O.C1(=CC=CC=C1)C1(CCN(CC1)CCCN)C=1OC=CC1>>COC(=O)C=1C(N(C(NC1COC)=O)C(NCCCN1CCC(CC1)(C=1OC=CC1)C1=CC=CC=C1)=O)C1=CC(=C(C=C1)F)F | 5 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:10]([CH3:16])[CH2:11][C:12](=[O:15])[NH:13][N:14]=2)=[CH:5][CH:4]=1.[N+](C1C=C(S([O-])(=O)=O)C=CC=1)([O-])=O.[Na+].Cl>[OH-].[Na+]>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[C:10]([CH3:16])=[CH:11][C:12](=[O:15])[NH:13][N:14]=2)=[CH:5][CH:4]=1 | 2 |
O=C1C(CCOCC1)C(=O)OCC>CCO[H].[Al].[Ni]>OC1C(CCOCC1)C(=O)OCC | 3 |
[CH3:1][O:2][C:3]1[CH:40]=[CH:39][C:6]([CH2:7][N:8]([CH2:30][C:31]2[CH:36]=[CH:35][C:34]([O:37][CH3:38])=[CH:33][CH:32]=2)[C:9]2[N:14]=[CH:13][C:12]([C:15]3[C:16]4[CH2:29][CH2:28][NH:27][C:17]=4[N:18]=[C:19]([N:21]4[CH2:26][CH2:25][O:24][CH2:23][CH2:22]4)[N:20]=3)=[CH:11][N:10]=2)=[CH:5][CH:4]=1.[Cl:41][C:42]1[CH:47]=[C:46](I)[CH:45]=[CH:44][N:43]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.P([O-])([O-])([O-])=O.[K+].[K+].[K+]>CN(C)C=O.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.O>[Cl:41][C:42]1[CH:47]=[C:46]([N:27]2[C:17]3[N:18]=[C:19]([N:21]4[CH2:26][CH2:25][O:24][CH2:23][CH2:22]4)[N:20]=[C:15]([C:12]4[CH:11]=[N:10][C:9]([N:8]([CH2:7][C:6]5[CH:5]=[CH:4][C:3]([O:2][CH3:1])=[CH:40][CH:39]=5)[CH2:30][C:31]5[CH:32]=[CH:33][C:34]([O:37][CH3:38])=[CH:35][CH:36]=5)=[N:14][CH:13]=4)[C:16]=3[CH2:29][CH2:28]2)[CH:45]=[CH:44][N:43]=1 | 1 |
Cl[C:2]1[N:3]=[C:4]([NH:27][CH:28]2[CH2:30][CH2:29]2)[C:5]2[C:10]([C:11]3[CH:16]=[CH:15][N:14]=[CH:13][CH:12]=3)=[CH:9][N:8](S(C3C=CC(C)=CC=3)(=O)=O)[C:6]=2[N:7]=1.[NH2:31][C:32]1[CH:40]=[C:39]2[C:35]([CH:36]=[N:37][NH:38]2)=[CH:34][CH:33]=1.C[Si](Cl)(C)C>C(O)CCC>[CH:28]1([NH:27][C:4]2[C:5]3[C:10]([C:11]4[CH:12]=[CH:13][N:14]=[CH:15][CH:16]=4)=[CH:9][NH:8][C:6]=3[N:7]=[C:2]([NH:31][C:32]3[CH:40]=[C:39]4[C:35]([CH:36]=[N:37][NH:38]4)=[CH:34][CH:33]=3)[N:3]=2)[CH2:29][CH2:30]1 | 1 |
ClC=1C=C(C=CC1)CCC(=O)O>O.C1CCCO1.[OH-].[Na+].[H-].[Al+3].[Li+].[H-].[H-].[H-]>ClC=1C=C(C=CC1)CCCO | 3 |
C(O[C:4]([C:6]1([CH2:12][CH2:13]OC)[CH2:11][CH2:10][NH:9][CH2:8][CH2:7]1)=[O:5])C.[F:16][C:17]([F:29])([F:28])[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=1[S:24](Cl)(=[O:26])=[O:25].[F:30][C:31]([F:43])([F:42])[CH:32]([CH3:41])[O:33][C:34]1[CH:39]=[CH:38][C:37]([NH2:40])=[CH:36][CH:35]=1>>[F:16][C:17]([F:29])([F:28])[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=1[S:24]([N:9]1[CH2:8][CH2:7][C:6]2([C:4](=[O:5])[N:40]([C:37]3[CH:38]=[CH:39][C:34]([O:33][CH:32]([CH3:41])[C:31]([F:30])([F:42])[F:43])=[CH:35][CH:36]=3)[CH2:13][CH2:12]2)[CH2:11][CH2:10]1)(=[O:26])=[O:25] | 1 |
CC(C)S(=O)(=O)Cl.C1(=CC=C(C=C1)[C@H]1[C@@H](COCC1)N)C1=CC=CC=C1>>C1(=CC=C(C=C1)[C@H]1[C@@H](COCC1)NS(=O)(=O)C(C)C)C1=CC=CC=C1 | 5 |
ClC1=CC=C2C(=CC(=NC2=C1)C=1C=C(C(=O)O)C=CC1)N1C=NC=C1>C1CCCO1.ClS(Cl)=O.N>ClC1=CC=C2C(=CC(=NC2=C1)C=1C=C(C(=O)N)C=CC1)N1C=NC=C1 | 3 |
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