smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[O:1]=[C:2]1[C:8]2=[CH:9][N:10]([S:15]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)(=[O:17])=[O:16])[C:11]3[CH:12]=[CH:13][CH:14]=[C:6]([C:7]=32)[CH2:5][N:4](C(OC(C)(C)C)=O)[CH2:3]1.[C:31]([OH:37])([C:33]([F:36])([F:35])[F:34])=[O:32].[BH4-].[Na+].C(O)(=O)C>C(Cl)Cl>[F:34][C:33]([F:36])([F:35])[C:31]([OH:37])=[O:32].[C:18]1([S:15]([N:10]2[C:11]3[CH:12]=[CH:13][CH:14]=[C:6]4[CH2:5][NH:4][CH2:3][CH:2]([OH:1])[C:8]([C:7]=34)=[CH:9]2)(=[O:17])=[O:16])[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=1 | 1 |
I[Si](C)(C)C.CN1C2=C(CCCC1=O)C=CC=N2>ClCCl.II.CN(CCN(C)C)C>IC1CCC2=C(N(C1=O)C)N=CC=C2 | 3 |
C(C1=CC=CC=C1)N1CC(OCC1)CC12C3=CC=CC=C3C(C=3C=CC=CC13)CC2>Cl.[HH].[Pd].C(C)(=O)O>N1CC(OCC1)CC12C3=CC=CC=C3C(C=3C=CC=CC13)CC2 | 3 |
[NH:1]([C:3]1[CH:11]=[CH:10][C:6]([C:7]([OH:9])=[O:8])=[CH:5][CH:4]=1)[NH2:2].Cl.[C:13]([CH2:19][C:20]#[N:21])(=O)[C:14]([CH3:17])([CH3:16])[CH3:15].[Li+].[OH-]>CCO>[NH2:21][C:20]1[N:1]([C:3]2[CH:4]=[CH:5][C:6]([C:7]([OH:9])=[O:8])=[CH:10][CH:11]=2)[N:2]=[C:13]([C:14]([CH3:17])([CH3:16])[CH3:15])[CH:19]=1 | 2 |
Br[C:2]1[N:7]=[CH:6][C:5]([N:8]2[CH2:12][C@H:11]([CH:13]([CH3:15])[CH3:14])[N:10]([CH2:16][C:17]([NH:19][C:20]3[CH:25]=[CH:24][CH:23]=[C:22]([C:26]([F:29])([F:28])[F:27])[CH:21]=3)=[O:18])[C:9]2=[O:30])=[CH:4][CH:3]=1.[C:31](=[O:34])([O-])[O-:32].[K+].[K+].[C:37](=O)([O-])O.[Na+]>CN(C=O)C.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>[O:30]=[C:9]1[N:10]([CH2:16][C:17](=[O:18])[NH:19][C:20]2[CH:25]=[CH:24][CH:23]=[C:22]([C:26]([F:29])([F:28])[F:27])[CH:21]=2)[C@@H:11]([CH:13]([CH3:15])[CH3:14])[CH2:12][N:8]1[C:5]1[CH:4]=[CH:3][C:2]([C:31]([O:32][CH3:37])=[O:34])=[N:7][CH:6]=1 | 1 |
C(C)(C)(C)OC(=O)N1CC(C1)CC1=CC=C(C=C1)Cl>>FC(C(=O)[O-])(F)F.ClC1=CC=C(CC2C[NH2+]C2)C=C1 | 5 |
C(C)OC(=O)C1CCN(CC1)C(C1=CC(=CC=C1)[C@H](C1=CC(=CC=C1)O)N1[C@H](CN([C@@H](C1)C)CC1=CC=CC=C1)C)=O>O.C1CCCO1.CO[H].[OH-].[Na+]>C(C1=CC=CC=C1)N1C[C@@H](N(C[C@H]1C)[C@H](C=1C=C(C(=O)N2CCC(CC2)C(=O)O)C=CC1)C1=CC(=CC=C1)O)C | 3 |
[OH:1][C:2]1[C:3]([F:17])=[C:4]([C:13]([NH:15][CH3:16])=[O:14])[C:5](=[C:9]([F:12])[C:10]=1[F:11])[C:6](O)=[O:7].OC1C(F)=C(C=C(F)C=1F)C(N)=O>C1(C)C=CC=CC=1>[OH:1][C:2]1[C:3]([F:17])=[C:4]2[C:13](=[O:14])[N:15]([CH3:16])[C:6](=[O:7])[C:5]2=[C:9]([F:12])[C:10]=1[F:11] | 1 |
C(C)(C)(C)C=1SC=C(N1)C(=O)OCC>>C(C)(C)(C)C=1SC=C(N1)C(=O)O | 5 |
SCC1(CC(O)=O)CC1.CC(C)([O-])C.[Na+:15].ClC1C=C2C(C=CC(C=CC3C=C([C@@H](OS(C)(=O)=O)CCC4C=CC=CC=4CC(O)C)C=CC=3)=N2)=CC=1.[CH3:53][C:54]([OH:93])([C:56]1[CH:57]=[CH:58][CH:59]=[CH:60][C:61]=1[CH2:62][CH2:63][C@@H:64]([S:84][CH2:85][C:86]1([CH2:89][C:90]([OH:92])=[O:91])[CH2:88][CH2:87]1)[C:65]1[CH:66]=[CH:67][CH:68]=[C:69](/[CH:71]=[CH:72]/[C:73]2[CH:74]=[CH:75][C:76]3[CH:77]=[CH:78][C:79]([Cl:83])=[CH:80][C:81]=3[N:82]=2)[CH:70]=1)[CH3:55]>C1(C)C=CC=CC=1.O1CCCC1>[CH3:55][C:54]([OH:93])([C:56]1[CH:57]=[CH:58][CH:59]=[CH:60][C:61]=1[CH2:62][CH2:63][C@@H:64]([S:84][CH2:85][C:86]1([CH2:89][C:90]([O-:92])=[O:91])[CH2:87][CH2:88]1)[C:65]1[CH:66]=[CH:67][CH:68]=[C:69](/[CH:71]=[CH:72]/[C:73]2[CH:74]=[CH:75][C:76]3[CH:77]=[CH:78][C:79]([Cl:83])=[CH:80][C:81]=3[N:82]=2)[CH:70]=1)[CH3:53].[Na+:15] | 2 |
COC(C1=CC=C(C=C1)COC1=CC=C(C=C1)C[C@@H](C=1N(C=C(N1)C1=C(C=C(C=C1)Cl)Cl)CCCC)NC(=O)OC(C)(C)C)=O>Cl.O1CCOCC1>Cl.COC(C1=CC=C(C=C1)COC1=CC=C(C=C1)C[C@@H](C=1N(C=C(N1)C1=C(C=C(C=C1)Cl)Cl)CCCC)N)=O | 3 |
[Br:1][C:2]1[N:3]=[C:4]([CH:22]2[CH2:24][CH2:23]2)[N:5]([CH2:14][O:15][CH2:16][CH2:17][Si:18]([CH3:21])([CH3:20])[CH3:19])[C:6]=1[C:7]1[CH:12]=[CH:11][N:10]=[C:9](Cl)[N:8]=1.[NH2:25][CH2:26][C@@H:27]([NH:29][C:30](=[O:36])[O:31][C:32]([CH3:35])([CH3:34])[CH3:33])[CH3:28].C(N(C(C)C)CC)(C)C.C(=O)([O-])[O-].[Na+].[Na+]>CN1C(=O)CCC1>[C:32]([O:31][C:30](=[O:36])[NH:29][C@@H:27]([CH3:28])[CH2:26][NH:25][C:9]1[N:8]=[C:7]([C:6]2[N:5]([CH2:14][O:15][CH2:16][CH2:17][Si:18]([CH3:21])([CH3:20])[CH3:19])[C:4]([CH:22]3[CH2:24][CH2:23]3)=[N:3][C:2]=2[Br:1])[CH:12]=[CH:11][N:10]=1)([CH3:35])([CH3:33])[CH3:34] | 1 |
COC([C@@](CO[Si](C)(C)C(C)(C)C)(C)N1N=NC=2N(C1=O)C=NC2C(N)=O)=O>>COC([C@@](CO)(C)N1N=NC=2N(C1=O)C=NC2C(N)=O)=O | 5 |
ClC1=C(C#N)C=CC(=C1)N[C@@H]1CN(C(C1)=O)C.ICC1=C(C=CC=C1)C>>ClC1=C(C#N)C=CC(=C1)N(CC1=C(C=CC=C1)C)[C@@H]1CN(C(C1)=O)C | 5 |
CON=C(C1=C(C=CC=C1)OCC1=C(C=C(C=C1)Cl)Cl)N1C=NC=C1>[Al](Cl)(Cl)Cl.C(O)([O-])=O.[Na+].C1(=CC=CC=C1)OC>CON=C(C1=C(C=CC=C1)O)N1C=NC=C1 | 3 |
[CH2:1]([C:8]1[CH:9]=[C:10]([CH:14]=[CH:15][CH:16]=1)[C:11](O)=[O:12])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(Cl)(=O)C(Cl)=O.[NH4+:23].[OH-]>CN(C=O)C.C(Cl)Cl>[CH2:1]([C:8]1[CH:9]=[C:10]([CH:14]=[CH:15][CH:16]=1)[C:11]([NH2:23])=[O:12])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[CH:1]([C:4]1[CH:13]=[C:12]2[C:7]([C:8](=[O:20])[N:9]([NH:15][S:16]([CH3:19])(=[O:18])=[O:17])[C:10](=[O:14])[NH:11]2)=[CH:6][C:5]=1[C:21]1[N:22]([CH3:26])[N:23]=[CH:24][CH:25]=1)([CH3:3])[CH3:2].Cl[C:28]([O:30][CH2:31][CH2:32][CH3:33])=[O:29]>>[CH2:31]([O:30][C:28](=[O:29])[N:15]([N:9]1[C:8](=[O:20])[C:7]2[C:12](=[CH:13][C:4]([CH:1]([CH3:3])[CH3:2])=[C:5]([C:21]3[N:22]([CH3:26])[N:23]=[CH:24][CH:25]=3)[CH:6]=2)[NH:11][C:10]1=[O:14])[S:16]([CH3:19])(=[O:17])=[O:18])[CH2:32][CH3:33] | 2 |
[CH3:1][N:2]([CH3:33])[C:3]1[N:12]=[C:11]([NH:13][CH2:14][C:15]2[CH:20]=[CH:19][C:18]([NH:21][C:22](=[O:30])[C:23]3[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=3)=[CH:17][CH:16]=2)[C:10]2[C:5](=[CH:6][C:7]([CH:31]=[O:32])=[CH:8][CH:9]=2)[N:4]=1.[BH4-].[Na+]>CO>[CH3:1][N:2]([CH3:33])[C:3]1[N:12]=[C:11]([NH:13][CH2:14][C:15]2[CH:16]=[CH:17][C:18]([NH:21][C:22](=[O:30])[C:23]3[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=3)=[CH:19][CH:20]=2)[C:10]2[C:5](=[CH:6][C:7]([CH2:31][OH:32])=[CH:8][CH:9]=2)[N:4]=1 | 2 |
C(C)(=O)OC(C)=O.NC=1SC=C(N1)C1(CC(CC1)N1CCC(CC1)C1=CC=C(C=C1)F)C(=O)NCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F>ClCCl.c1ccncc1>C(C)(=O)NC=1SC=C(N1)C1(CC(CC1)N1CCC(CC1)C1=CC=C(C=C1)F)C(=O)NCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F | 3 |
ClC1=CC=2SCC(NC2N=C1C=O)=O.NC1CCN(CC1)CCN1C(C=NC2=CC=C(C=C12)OC)=O>>ClC1=CC=2SCC(NC2N=C1CNC1CCN(CC1)CCN1C(C=NC2=CC=C(C=C12)OC)=O)=O | 5 |
[CH3:1][S:2][C:3]1[CH:11]=[CH:10][C:6]([C:7](O)=[O:8])=[C:5]([N+:12]([O-:14])=[O:13])[CH:4]=1.S(Cl)(Cl)=O.[NH3:19]>C1C=CC=CC=1>[CH3:1][S:2][C:3]1[CH:11]=[CH:10][C:6]([C:7]([NH2:19])=[O:8])=[C:5]([N+:12]([O-:14])=[O:13])[CH:4]=1 | 1 |
OCCN1CCCC1.BrC=1C(NN=C(C1)Cl)=O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>BrC1=C(N=NC(=C1)Cl)OCCN1CCCC1 | 3 |
[O:1]=[C:2]1[NH:6][CH:5]([C:7]([OH:9])=O)[CH2:4][NH:3]1.C(N(CC)C(C)C)(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[CH3:43][O:44][C:45]1[CH:46]=[C:47]([CH:49]=[CH:50][C:51]=1[C:52]1[O:56][CH:55]=[N:54][CH:53]=1)[NH2:48]>CN(C=O)C>[CH3:43][O:44][C:45]1[CH:46]=[C:47]([NH:48][C:7]([CH:5]2[CH2:4][NH:3][C:2](=[O:1])[NH:6]2)=[O:9])[CH:49]=[CH:50][C:51]=1[C:52]1[O:56][CH:55]=[N:54][CH:53]=1 | 2 |
NC1=NNC=N1.FC(CCCCC(C(=O)OC)C(CC)=O)=C(F)F>>C(C)C1=NC=2N(C(=C1CCCCC(=C(F)F)F)O)N=CN2 | 5 |
[Cl:1][C:2]1[N:7]=[C:6]([NH2:8])[C:5]([CH3:9])=[CH:4][N:3]=1.Br[C:11]1[CH:12]=[C:13]([S:17]([NH:20][C:21]([CH3:24])([CH3:23])[CH3:22])(=[O:19])=[O:18])[CH:14]=[CH:15][CH:16]=1.CC1(C)C2C(=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=CC=2)OC2C(P(C3C=CC=CC=3)C3C=CC=CC=3)=CC=CC1=2.C(=O)([O-])[O-].[Cs+].[Cs+]>O1CCOCC1.C(Cl)Cl.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.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd]>[C:21]([NH:20][S:17]([C:13]1[CH:14]=[CH:15][CH:16]=[C:11]([NH:8][C:6]2[C:5]([CH3:9])=[CH:4][N:3]=[C:2]([Cl:1])[N:7]=2)[CH:12]=1)(=[O:19])=[O:18])([CH3:24])([CH3:22])[CH3:23] | 1 |
C(C)I.[N+](=O)([O-])C=1C=C(C=CC1)N1C(NC(C2=CC=CC=C12)=O)=O>N(C)(C)C=O.O.[H-].[Na+]>[N+](=O)([O-])C=1C=C(C=CC1)N1C(N(C(C2=CC=CC=C12)=O)CC)=O | 3 |
OC1=C(C(=O)OC)C=C(C=C1)[N+](=O)[O-].ClC1=CC=C(C=C1)C(O)C1=CC=C(C=C1)C(F)(F)F>>ClC1=CC=C(C=C1)C(OC1=C(C(=O)OC)C=C(C=C1)[N+](=O)[O-])C1=CC=C(C=C1)C(F)(F)F | 5 |
Br[C:2]1[CH:7]=[CH:6][C:5]([C@@H:8]([NH:15][CH3:16])[CH2:9][N:10]2[CH2:14][CH2:13][CH2:12][CH2:11]2)=[CH:4][CH:3]=1.[NH2:17][C:18]([C:20]1[CH:21]=[C:22](B(O)O)[CH:23]=[CH:24][CH:25]=1)=[O:19].C([O-])([O-])=O.[Na+].[Na+].C(Cl)Cl>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].O.CC#N>[CH3:16][NH:15][C@H:8]([C:5]1[CH:6]=[CH:7][C:2]([C:24]2[CH:23]=[CH:22][CH:21]=[C:20]([C:18]([NH2:17])=[O:19])[CH:25]=2)=[CH:3][CH:4]=1)[CH2:9][N:10]1[CH2:14][CH2:13][CH2:12][CH2:11]1 | 1 |
FC=1C=CC(=NC1)C1=NOC=C1CO>ClCCl.C(O)([O-])=O.[Na+]>FC=1C=CC(=NC1)C1=NOC=C1C=O | 3 |
[OH:1][C:2]1[CH:3]=[CH:4][C:5]2[S:9][C:8]([S:10]([NH2:13])(=[O:12])=[O:11])=[N:7][C:6]=2[CH:14]=1.C(N(CC)CC)C.[CH:22]1([CH2:27][C:28](Cl)=[O:29])[CH2:26][CH2:25][CH2:24][CH2:23]1.Cl>CN(C)C1C=CN=CC=1.CN(C)C=O>[CH:22]1([CH2:27][C:28]([O:1][C:2]2[CH:3]=[CH:4][C:5]3[S:9][C:8]([S:10](=[O:12])(=[O:11])[NH2:13])=[N:7][C:6]=3[CH:14]=2)=[O:29])[CH2:26][CH2:25][CH2:24][CH2:23]1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2([C:11]([N:13]3[CH2:17][CH:16]=[C:15]([C:18]4[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=4[CH3:24])[CH2:14]3)=[O:12])[CH2:10][CH2:9]2)=[CH:4][CH:3]=1.CO>[Pd].[O-]S([O-])(=O)=O.[Ba+2]>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2([C:11]([N:13]3[CH2:17][CH2:16][CH:15]([C:18]4[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=4[CH3:24])[CH2:14]3)=[O:12])[CH2:9][CH2:10]2)=[CH:4][CH:3]=1 | 1 |
ClC(=O)OCC1=CC=CC=C1.Cl.Cl.NCC=1C(=NC(=C(C(=O)OCC(=S)N)C1C1=CC=C(C=C1)C)C)CC(C)C>>C(C1=CC=CC=C1)OC(=O)NCC=1C(=NC(=C(C(=O)OCC(=S)N)C1C1=CC=C(C=C1)C)C)CC(C)C | 5 |
FC1=CC=C(C=C1)CC(=O)N.ClC1=NC=CC(=C1)C1=CC=2C(N(C=CC2N1)C)=O>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+].C(C)(C)(CC)O>FC1=CC=C(C=C1)CC(=O)NC1=NC=CC(=C1)C1=CC=2C(N(C=CC2N1)C)=O | 3 |
CS(=O)(=O)Cl.NCCOC1=NN(C(=C1C)NC(=O)N[C@@H]1CN(C[C@H]1C1=CC(=C(C=C1)F)F)CCOC)C1=CC=CC=C1>ClCCl.CCN(CC)CC>FC=1C=C(C=CC1F)[C@H]1[C@@H](CN(C1)CCOC)NC(NC1=C(C(=NN1C1=CC=CC=C1)OCCNS(=O)(=O)C)C)=O | 3 |
C(CCCC)N.NC1=NC(=C(C(=N1)Cl)CC1=C(C=C(C(=O)OC)C=C1)OC)C>>NC1=NC(=C(C(=N1)C)CC1=C(C=C(C(=O)OC)C=C1)OC)NCCCCC | 5 |
ClCCC1=CC=C(C=C1)CO.C(C1=CC=CC=C1)OC1=CC(NC=N1)=O>>C(C1=CC=CC=C1)OC1=CC(N(C=N1)CCC1=CC=C(C=C1)CO)=O | 5 |
C(C1=CC=CC=C1)ONC(=O)[C@H]1[C@H]([C@H]2[C@H](CN1S(=O)(=O)C1=CC=C(C=C1)OC1=CC=CC=C1)OC(O2)(C)C)O>CO[H]>C(C1=CC=CC=C1)ONC(=O)[C@@H]1N(C[C@@H]([C@H]([C@@H]1O)O)O)S(=O)(=O)C1=CC=C(C=C1)OC1=CC=CC=C1 | 3 |
C(C)OC(CC(C(F)(F)F)=O)=O.ClC=1C=C(C(=N)N)C=CC1>>ClC=1C=C(C=CC1)C1=NC(=CC(N1)=O)C(F)(F)F | 5 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([NH2:10])=[C:6]([NH2:11])[CH:5]=1)([O-:3])=[O:2]>C(Cl)(Cl)Cl.CO>[CH2:9]([C:8]1[NH:11][C:6]2[CH:5]=[C:4]([N+:1]([O-:3])=[O:2])[CH:9]=[CH:8][C:7]=2[N:10]=1)[CH2:4][CH2:5][CH2:6][CH3:7] | 1 |
[C:1]([O:5][C:6](=[O:17])[NH:7][CH2:8][CH:9]1[CH2:14][CH2:13][CH:12]([CH:15]=O)[CH2:11][CH2:10]1)([CH3:4])([CH3:3])[CH3:2].[CH:18]1([O:23][C:24](=[O:33])[C@@H:25]([NH2:32])[C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[CH2:22][CH2:21][CH2:20][CH2:19]1.C(O)(=O)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C([O-])(O)=O.[Na+]>ClCCCl.C(Cl)Cl>[CH:18]1([O:23][C:24](=[O:33])[C@@H:25]([NH:32][CH2:15][CH:12]2[CH2:13][CH2:14][CH:9]([CH2:8][NH:7][C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:17])[CH2:10][CH2:11]2)[C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[CH2:22][CH2:21][CH2:20][CH2:19]1 | 1 |
C(C)(=O)OC1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O1)COC(C)=O>C(C)(=O)O.NN>C(C)(=O)O[C@@H]1C(O)O[C@@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)COC(C)=O | 3 |
[N-:1]=[N+:2]=[N-:3].[Na+].Cl[CH2:6][C:7]([O:9][CH3:10])=[O:8].[Cl:11][CH2:12][CH2:13][O:14][C:15]1[CH:16]=[C:17]([CH:20]=[CH:21][C:22]=1[O:23][CH3:24])[CH:18]=O.C[O-].[Na+].CO>CS(C)=O.CO.O>[CH3:10][O:9][C:7](=[O:8])[C:6]([N:1]=[N+:2]=[N-:3])=[CH:18][C:17]1[CH:20]=[CH:21][C:22]([O:23][CH3:24])=[C:15]([O:14][CH2:13][CH2:12][Cl:11])[CH:16]=1 | 1 |
ClC=1C(=C(C#N)C=C(C1)N1C2=C(OCC1)C=C(C=C2)OCC2=NC(=NC=C2)SC)OCCCl>O.C1CCCO1.S(=O)(=O)(O[O-])[O-].[K+].[K+]>ClC=1C(=C(C#N)C=C(C1)N1C2=C(OCC1)C=C(C=C2)OCC2=NC(=NC=C2)S(=O)(=O)C)OCCCl | 3 |
C([O:5][C:6]([CH:8]1[CH:12]([C:13]2[CH:18]=[CH:17][CH:16]=[C:15]([Cl:19])[C:14]=2[F:20])[C:11]([C:23]2[CH:28]=[CH:27][C:26]([Cl:29])=[CH:25][C:24]=2[F:30])([C:21]#[N:22])[CH:10]([CH2:31][C:32]([CH3:43])([CH3:42])[CH2:33][O:34][Si](C(C)(C)C)(C)C)[NH:9]1)=[O:7])(C)(C)C.[F:44][C:45]([F:50])([F:49])[C:46]([OH:48])=[O:47]>ClCCl>[F:44][C:45]([F:50])([F:49])[C:46]([OH:48])=[O:47].[Cl:19][C:15]1[C:14]([F:20])=[C:13]([CH:12]2[C:11]([C:23]3[CH:28]=[CH:27][C:26]([Cl:29])=[CH:25][C:24]=3[F:30])([C:21]#[N:22])[CH:10]([CH2:31][C:32]([CH3:42])([CH3:43])[CH2:33][OH:34])[NH:9][CH:8]2[C:6]([OH:7])=[O:5])[CH:18]=[CH:17][CH:16]=1 | 1 |
NC=1C=CC(=C(C(=O)O)C1)O.O[C@H]1[C@@](CC2=CC=CC=C12)(C=1CC2=CC=CC=C2C1)CC1=CC=C(C(=O)OCC)C=C1>C1CCCO1.C[Al](C)C>OC1=C(C(=O)O)C=C(C=C1)NC(C1=CC=C(C=C1)C[C@@]1([C@@H](C2=CC=CC=C2C1)O)C=1CC2=CC=CC=C2C1)=O | 3 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[NH:11][C:10](=[S:12])[CH2:9][N:8]=[C:7]([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)[C:6]=2[CH:19]=1.C[O-].[Na+].[CH2:23](Br)[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1.O>CO>[CH2:23]([S:12][C:10]1[CH2:9][N:8]=[C:7]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[C:6]2[CH:19]=[C:2]([Cl:1])[CH:3]=[CH:4][C:5]=2[N:11]=1)[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1 | 1 |
CC1=CC=C(C=C1NC1=CC(=NN1C1=NC=NC(=C1)NC)C)N.C(C)(C)NCC=1C=C(C(=O)O)C=C(C1)C(F)(F)F>>C(C)(C)NCC=1C=C(C(=O)NC2=CC(=C(C=C2)C)NC2=CC(=NN2C2=NC=NC(=C2)NC)C)C=C(C1)C(F)(F)F | 5 |
BrC1=C(C=C(C=C1)OCOC)OCOC.COC1=CC(CC1)=O>C1CCCO1.C(CCC)[Li].CCCCCC.CCCC(C)C.CCC(C)CC.CN(CCN(C)C)C>COCOC1=C(C=CC(=C1)OCOC)C1=CC(CC1)=O | 3 |
C(C)(=O)C1=NC=CC=C1.COC(C(=O)OC)=O>CO[H].C[O-].[Na+]>COC(C(CC(=O)C1=NC=CC=C1)=O)=O | 3 |
N[C:2]1[N:6]([CH3:7])[N:5]=[CH:4][C:3]=1[C:8]#[N:9].[BrH:10].N([O-])=O.[Na+]>O>[Br:10][C:2]1[N:6]([CH3:7])[N:5]=[CH:4][C:3]=1[C:8]#[N:9] | 2 |
C1(=CC=CC=C1)C1=CC(=NO1)OC(C(=O)OCC)C(=O)OCC>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C1(=CC=CC=C1)C1=CC(=NO1)OC(CO)CO | 3 |
[C:1]([O:5][C:6]([NH:8][C@H:9]1[CH2:14][C@@H:13]([F:15])[CH2:12][N:11]([C:16](OCC2C=CC=CC=2)=O)[CH2:10]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].CCN(C(C)C)C(C)C.ClC1[CH:41]=[CH:40][N:39]=[CH:38][C:37]=1[N+:42]([O-:44])=[O:43]>[Pd].CO>[F:15][C@H:13]1[CH2:12][N:11]([C:16]2[CH:41]=[CH:40][N:39]=[CH:38][C:37]=2[N+:42]([O-:44])=[O:43])[CH2:10][C@@H:9]([NH:8][C:6](=[O:7])[O:5][C:1]([CH3:2])([CH3:3])[CH3:4])[CH2:14]1 | 1 |
C(C1=CC=CO1)N.CS(=O)(=O)C1=NN=C(S1)C=1C=C2C=CN=CC2=CC1.CS(=O)C1=NN=C(S1)C=1C=C2C=CN=CC2=CC1>>O1C(=CC=C1)CNC=1SC(=NN1)C=1C=C2C=CN=CC2=CC1 | 5 |
C(C)(=O)OCCOCP(=O)(OCC)OCC>CCO[H].Cl>OCCOCP(OCC)(OCC)=O | 3 |
BrC=1CC(OC1)=O.[Si](C)(C)(C(C)(C)C)OCC1NC(C2(C1)CCN(CC2)C(=O)OC(C)(C)C)=O>>[Si](C)(C)(C(C)(C)C)OCC1N(C(C2(C1)CCN(CC2)C(=O)OC(C)(C)C)=O)C=2COC(C2)=O | 5 |
C(C1=CC=CC=C1)O.Cl.N[C@@H]1CC[C@H](CC1)C(=O)OC.ClS(=O)(=O)C=1C=C(C(=O)Cl)C=CC1>>COC(=O)[C@@H]1CC[C@H](CC1)NS(=O)(=O)C=1C=C(C(=O)OCC2=CC=CC=C2)C=CC1 | 5 |
ClC=1C2=C(N=CN1)C=C(S2)C(=O)N.FC(C(=O)O)(F)F.FC(C(=O)O)(F)F.N1(CCNCC1)CCNS(=O)(=O)C>CC#N.C(C)(C)N(C(C)C)CC>CS(=O)(=O)NCCN1CCN(CC1)C=1C2=C(N=CN1)C=C(S2)C(=O)N | 3 |
[C:1]([C:9]1[CH:14]=[CH:13][C:12]([B:15]([OH:17])[OH:16])=[CH:11][CH:10]=1)(=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.[NH2:19][OH:20]>N1C=CC=CC=1.CCO>[OH:16][B:15]([OH:17])[C:12]1[CH:13]=[CH:14][C:9]([C:1]([C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)=[N:19][OH:20])=[CH:10][CH:11]=1 | 1 |
BrC=1C=C(C=C(C1OCC1=CC=C(C=C1)OC)Br)C(C=C)=O.BrC=1C=C(C(=O)Cl)C=CC1Cl>>BrC=1C=C(C=CC1Cl)C(=O)N1N=C(CC1)C1=CC(=C(C(=C1)Br)OCC1=CC=C(C=C1)OC)Br | 5 |
ClCS(=O)(=O)NC1=CC=C(C=C1)C1=C2C(=NC=C1F)N(C1=CN=C(C=C12)C=1C=NC=CC1)S(=O)(=O)C1=CC=C(C=C1)C>>ClCS(=O)(=O)NC1=CC=C(C=C1)C1=C2C(=NC=C1F)NC1=CN=C(C=C12)C=1C=NC=CC1 | 5 |
FC(C)(C)C=1C=C(C(=O)O)C=CN1.N(=[N+]=[N-])C[C@]1([C@H]2N(C3=CC(=CC=C3C1)C=1C=C(N)C=CC1C)CCOC2)F>N(C)(C)C=O.c3c(P(c1ccccc1)c2ccccc2)cccc3.Cl.CN(CCCN=C=NCC)C.ON1N=NC2=C1N=CC=C2>NC[C@]1([C@H]2N(C3=CC(=CC=C3C1)C=1C=C(C=CC1C)NC(C1=CC(=NC=C1)C(C)(C)F)=O)CCOC2)F | 3 |
FC(OC(C)C1=C(C=CC(=C1)F)C(C)=O)F>CO[H].[Na+].[BH4-].C(O)([O-])=O.[Na+]>FC(OC(C)C1=C(C=CC(=C1)F)C(C)O)F | 3 |
CN.C(C)(=O)N1CC2=CC(=CC=C2CC1)S(=O)(=O)Cl>>Cl.CNS(=O)(=O)C1=CC=C2CCNCC2=C1 | 5 |
C(C)N1C=NC(=C1)C=O>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C(C)N1C=NC(=C1)CO | 3 |
C([Li])CCC.C(NC(C)C)(C)C.[C:13]([C:16]1[C:24]2[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=2)[N:18]([CH3:25])[CH:17]=1)(=[O:15])[CH3:14].[N:26]1[CH:31]=[CH:30][C:29]([CH:32]=[O:33])=[CH:28][CH:27]=1.Cl[Si:35]([CH3:38])([CH3:37])[CH3:36]>C1COCC1>[CH3:25][N:18]1[C:19]2[C:24](=[CH:23][CH:22]=[CH:21][CH:20]=2)[C:16]([C:13](=[O:15])[CH2:14][CH:32]([C:29]2[CH:30]=[CH:31][N:26]=[CH:27][CH:28]=2)[O:33][Si:35]([CH3:38])([CH3:37])[CH3:36])=[CH:17]1 | 1 |
CC([C@H](C(NCC(F)(F)F)=O)NC(OCC1=CC=CC=C1)=O)C>CCO[H].[HH].C(C)(=O)OCC.[Pd]>N[C@@H](C(=O)NCC(F)(F)F)C(C)C | 3 |
CI.N1(CCCCC1)CCNC(N1CCC(CC1)N1CCCCC1)=C(C#N)C#N>C1CCCO1.[H-].[Na+]>CN(CCN1CCCCC1)C(N1CCC(CC1)N1CCCCC1)=C(C#N)C#N | 3 |
COC=1C=CC=2C3=C(NC2C1)C(=CC(=N3)C3=CC=C(C=C3)OC)C(=O)O>CC#N.CCN(CC)CC.Cl.CN(CCCN=C=NCC)C.[Cl-].[NH4+].O.ON1N=NC2=C1C=CC=C2.C(C)(=O)[O-].[NH4+]>COC=1C=CC=2C3=C(NC2C1)C(=CC(=N3)C3=CC=C(C=C3)OC)C(=O)N | 3 |
ClC1=NC(=NC(=N1)Cl)OC.C(C(C)C)C1=CC=C(C=C1)B(O)O>C1(=CC=CC=C1)C.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(=N1)C1=CC=C(C=C1)CC(C)C)OC | 3 |
NC1=NC=NN2C1=CC=C2C2CCC(CC2)C#N>N(C)(C)C=O.BrN1C(CCC1=O)=O>NC1=NC=NN2C1=C(C=C2C2CCC(CC2)C#N)Br | 3 |
[Cl:1][C:2](=[CH2:20])[CH2:3][N:4]1[C:10](=[O:11])[C:9]2[CH:12]=[CH:13][CH:14]=[CH:15][C:8]=2[NH:7][C:6]2[N:16]=[CH:17][CH:18]=[CH:19][C:5]1=2.[H-].[Na+].[CH2:23](I)[CH3:24]>CN(C)C=O>[Cl:1][C:2](=[CH2:20])[CH2:3][N:4]1[C:10](=[O:11])[C:9]2[CH:12]=[CH:13][CH:14]=[CH:15][C:8]=2[N:7]([CH2:23][CH3:24])[C:6]2[N:16]=[CH:17][CH:18]=[CH:19][C:5]1=2 | 1 |
CI.COC(CC(=O)C1CC1)=O>C1CCCO1.[H-].[Na+]>C1(CC1)C(C(C(=O)OC)C)=O | 3 |
ClC=1C=C(C=C(C1OC(C(Cl)Cl)(F)F)Cl)N>C(C(=O)Cl)(=O)Cl.C(Cl)(Cl)(Cl)Cl>ClC=1C=C(C=C(C1OC(C(Cl)Cl)(F)F)Cl)N=C=O | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[C:9]1[N:10]=[C:11](/[CH:16]=[CH:17]/[C:18]2[CH:23]=[CH:22][C:21]([C:24]3[CH:29]=[CH:28][C:27]([OH:30])=[CH:26][CH:25]=3)=[CH:20][CH:19]=2)[N:12]([CH2:14][CH3:15])[CH:13]=1.I[C:32]1[CH:39]=[CH:38][C:35]([C:36]#[N:37])=[CH:34][CH:33]=1.[NH:40]1C=N[N:42]=[N:41]1>>[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[C:9]1[N:10]=[C:11](/[CH:16]=[CH:17]/[C:18]2[CH:23]=[CH:22][C:21]([C:24]3[CH:25]=[CH:26][C:27]([O:30][C:32]4[CH:39]=[CH:38][C:35]([C:36]5[NH:42][N:41]=[N:40][N:37]=5)=[CH:34][CH:33]=4)=[CH:28][CH:29]=3)=[CH:20][CH:19]=2)[N:12]([CH2:14][CH3:15])[CH:13]=1 | 2 |
S(=O)(=O)(O)O.COC(N)=N.BrCC(C(C#N)(C)C)=O>CCO[H].C(O)([O-])=O.[Na+]>COC=1NC=C(N1)C(C#N)(C)C | 3 |
BrCCCO.ClC1=C(C=CC(=C1)S(=O)C1=CC=C(C=C1)O)NC([C@@](C(F)(F)F)(C)O)=O>>ClC1=C(C=CC(=C1)S(=O)C1=CC=C(C=C1)OCCCO)NC([C@@](C(F)(F)F)(C)O)=O | 5 |
C(C)(C)(C)O.C(#N)C1=CN(C2=CC(=CC=C12)C(=O)O)CC>>C(C)(C)(C)OC(NC1=CC=C2C(=CN(C2=C1)CC)C#N)=O | 5 |
[Cl:1][C:2]1[C:3]([O:12][CH2:13][CH:14]2[CH2:16][CH2:15]2)=[N:4][CH:5]=[C:6]([CH:11]=1)[C:7]([O:9]C)=[O:8].C1COCC1.[OH-].[Li+].Cl>CO>[Cl:1][C:2]1[C:3]([O:12][CH2:13][CH:14]2[CH2:16][CH2:15]2)=[N:4][CH:5]=[C:6]([CH:11]=1)[C:7]([OH:9])=[O:8] | 1 |
O1CCCC1.[NH2:6][C:7]1[C:15]([NH:16][C:17]2[CH:18]=[C:19]([CH:22]=[CH:23][CH:24]=2)[C:20]#[N:21])=[CH:14][CH:13]=[C:12]2[C:8]=1[CH2:9][CH2:10][CH2:11]2.[C:25](Cl)(=[O:30])[CH2:26][C:27](Cl)=[O:28]>CO>[C:20]([C:19]1[CH:18]=[C:17]([N:16]2[C:27](=[O:28])[CH2:26][C:25](=[O:30])[NH:6][C:7]3[C:8]4[CH2:9][CH2:10][CH2:11][C:12]=4[CH:13]=[CH:14][C:15]2=3)[CH:24]=[CH:23][CH:22]=1)#[N:21] | 1 |
C(C1=CC=CC=C1)N([C@@H]1CC[C@H](CC1)OCC(C(C)C)=O)CC1=CC=CC=C1>O.C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C(C1=CC=CC=C1)N([C@@H]1CC[C@H](CC1)OCC(C(C)C)O)CC1=CC=CC=C1 | 3 |
BrC1=NC(=C(C=C1)Cl)Cl>CC(C)(C)[O-].[K+].Cl.CC(C)(C)O>BrC1=CC=C(C(N1)=O)Cl | 3 |
BrC=1C=CC(=NC1)C1=NOC(C1)COS(=O)(=O)C>N(C)(C)C=O.[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])CC1CC(=NO1)C1=NC=C(C=C1)Br | 3 |
C(C1=CC=CC=C1)Br.BrC=1C=C(N)C=CC1>N(C)(C)C=O.[O-2].[Mg+2]>C(C1=CC=CC=C1)N(C1=CC(=CC=C1)Br)CC1=CC=CC=C1 | 3 |
C(#N)C=1C=CC(=NC1)C=C1CCN(CC1)C(=O)OC(C)(C)C>ClCCl.ClC=1C=C(C(=O)OO)C=CC1.C(O)([O-])=O.[Na+].[O-]S(=O)(=S)[O-].[Na+].[Na+]>C(#N)C=1C=CC(=NC1)C1OC12CCN(CC2)C(=O)OC(C)(C)C | 3 |
[CH2:1]([N:8]1[C:17](=[O:18])[C:16]2[C:11](=[CH:12][C:13]([Cl:19])=[CH:14][CH:15]=2)[N:10]=[C:9]1[CH:20]([N:24]([CH2:34][C:35](=O)[CH2:36][CH2:37][N:38]1[C:46](=[O:47])[C:45]2[C:40](=[CH:41][CH:42]=[CH:43][CH:44]=2)[C:39]1=[O:48])[C:25](=O)[C:26]1[CH:31]=[CH:30][C:29]([CH3:32])=[CH:28][CH:27]=1)[CH:21]([CH3:23])[CH3:22])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C([O-])(=O)C.[NH4+:54]>C(O)(=O)C>[CH2:1]([N:8]1[C:17](=[O:18])[C:16]2[C:11](=[CH:12][C:13]([Cl:19])=[CH:14][CH:15]=2)[N:10]=[C:9]1[CH:20]([N:24]1[CH:34]=[C:35]([CH2:36][CH2:37][N:38]2[C:46](=[O:47])[C:45]3[C:40](=[CH:41][CH:42]=[CH:43][CH:44]=3)[C:39]2=[O:48])[N:54]=[C:25]1[C:26]1[CH:27]=[CH:28][C:29]([CH3:32])=[CH:30][CH:31]=1)[CH:21]([CH3:23])[CH3:22])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[Si](Cl)(C)(C)C.BrCCBr.[C:10]([O:14][C:15]([N:17]1[CH2:22][CH2:21][CH:20](I)[CH2:19][CH2:18]1)=[O:16])([CH3:13])([CH3:12])[CH3:11].[Cl:24][C:25]1[N:33]=[C:32]2[C:28]([N:29]=[C:30](I)[N:31]2[CH3:34])=[C:27]([N:36]2[CH2:41][CH2:40][O:39][CH2:38][CH2:37]2)[N:26]=1>CC(N(C)C)=O.[Zn].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].[Cu]I.C(Cl)Cl>[C:10]([O:14][C:15]([N:17]1[CH2:22][CH2:21][CH:20]([C:30]2[N:31]([CH3:34])[C:32]3[C:28]([N:29]=2)=[C:27]([N:36]2[CH2:41][CH2:40][O:39][CH2:38][CH2:37]2)[N:26]=[C:25]([Cl:24])[N:33]=3)[CH2:19][CH2:18]1)=[O:16])([CH3:13])([CH3:12])[CH3:11] | 1 |
CC(CC(C)=O)=O.FC1(OC2=C(O1)C=CC=C2N)F>>FC1(OC2=C(O1)C=CC=C2NN=C(C(C)=O)C(C)=O)F | 5 |
Br[C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][C:10]([N:12]([CH3:14])[CH3:13])=[O:11])=[CH:4][CH:3]=1.[F:15][C:16]([F:27])([F:26])[C:17]1[C:25]2[CH2:24][CH2:23][CH2:22][CH2:21][C:20]=2[NH:19][N:18]=1>>[CH3:13][N:12]([CH3:14])[C:10](=[O:11])[CH2:9][CH2:8][C:5]1[CH:6]=[CH:7][C:2]([N:19]2[C:20]3[CH2:21][CH2:22][CH2:23][CH2:24][C:25]=3[C:17]([C:16]([F:15])([F:27])[F:26])=[N:18]2)=[CH:3][CH:4]=1 | 1 |
BrC1=C(C=C(C(=C1)F)[N+](=O)[O-])C(F)F>>BrC1=CC(=C(N)C=C1C(F)F)F | 5 |
CI.FC=1C=C(C=C(C1)[N+](=O)[O-])N1N=NNC1=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>FC=1C=C(C=C(C1)[N+](=O)[O-])N1N=NN(C1=O)C | 3 |
COC(C(C(C(=O)O)C)=CC1=CC=C(C=C1)F)=O>C1CCCO1.[Na+].[BH4-].C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.CCN(CC)CC>COC(=O)C1=CC2=CC=C(C=C2C(=C1C)O)F | 3 |
NC1=NC=C(N=C1)Br.C1(CCC1)C1=C(C(=C(C=C1)B(O)O)F)OC>C([O-])([O-])=O.[K+].[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>C1(CCC1)C1=C(C(=C(C=C1)C=1N=CC(=NC1)N)F)OC | 3 |
C(C)(C)(C)OC(CN1[C@H](CCC1)COC1=CC=C(C=C1)OC1=CC=C(C=C1)Cl)=O>>Cl.ClC1=CC=C(OC2=CC=C(OC[C@@H]3N(CCC3)CC(=O)O)C=C2)C=C1 | 5 |
Cl[C:2]1[CH:7]=[N:6][CH:5]=[CH:4][N:3]=1.[N:8]1([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[CH2:13][CH2:12][NH:11][CH2:10][CH2:9]1.C(=O)([O-])[O-].[K+].[K+].O1CCOCC1>[Cl-].[Na+].O.CN(C=O)C>[N:3]1[CH:4]=[CH:5][N:6]=[CH:7][C:2]=1[N:11]1[CH2:10][CH2:9][N:8]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[CH2:13][CH2:12]1 | 2 |
[Cl:1][C:2]1[CH:10]=[CH:9][C:5]([C:6](O)=[O:7])=[CH:4][C:3]=1[CH2:11][N:12]1[CH:16]=[CH:15][C:14]([NH:17][C:18]([C:20]2[C:25]([F:26])=[CH:24][CH:23]=[CH:22][C:21]=2[F:27])=[O:19])=[N:13]1.[C:28]([NH:31][NH2:32])(=[O:30])[CH3:29].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C>CN(C=O)C.ClCCl>[C:28]([NH:31][NH:32][C:6]([C:5]1[CH:9]=[CH:10][C:2]([Cl:1])=[C:3]([CH2:11][N:12]2[CH:16]=[CH:15][C:14]([NH:17][C:18](=[O:19])[C:20]3[C:25]([F:26])=[CH:24][CH:23]=[CH:22][C:21]=3[F:27])=[N:13]2)[CH:4]=1)=[O:7])(=[O:30])[CH3:29] | 2 |
Br[C:2]1[CH:3]=[N:4][CH:5]=[CH:6][CH:7]=1.C([Li])CCC.CCCCCC.[Cl:19][C:20]1[CH:33]=[CH:32][C:23]([CH2:24][C:25]([CH2:30][CH3:31])([CH2:28][CH3:29])[CH:26]=[O:27])=[CH:22][CH:21]=1.[Cl-].[NH4+].Cl>C(OCC)C>[Cl:19][C:20]1[CH:21]=[CH:22][C:23]([CH2:24][C:25]([CH2:28][CH3:29])([CH2:30][CH3:31])[CH:26]([C:2]2[CH:3]=[N:4][CH:5]=[CH:6][CH:7]=2)[OH:27])=[CH:32][CH:33]=1 | 1 |
CC1=C(C=CC=C1)C1=CC(=CN1)C=O>N(C)(C)C=O.C1CCCO1.[H-].[Na+].C1COCCOCCOCCOCCO1>CC1=C(C=CC=C1)C1=CC(=CN1S(=O)(=O)C=1C=NC=CC1)C=O | 3 |
C(C)N1N=CC2=C(C=CC=C12)C=1NC=2N(C(C1)=O)N=C(C2C(=O)NCC#C)C>>C(C)N1N=CC2=C(C=CC=C12)C=1NC=2N(C(C1)=O)N=C(C2C=2OC(=CN2)C)C | 5 |
[CH3:1][N:2]1[CH:6]=[CH:5][C:4]([NH:7][C:8]2[C:17]3[C:12](=[CH:13][CH:14]=[C:15]([O:18][C:19]4[N:24]=[CH:23][C:22]([OH:25])=[CH:21][CH:20]=4)[CH:16]=3)[N:11]=[CH:10][N:9]=2)=[N:3]1.CS(O[CH2:31][C@H:32](OC1CCCCO1)[CH3:33])(=O)=O.[CH3:41][NH2:42].O1CCCC1>>[CH3:41][NH:42][C@H:32]([CH3:33])[CH2:31][O:25][C:22]1[CH:21]=[CH:20][C:19]([O:18][C:15]2[CH:16]=[C:17]3[C:12](=[CH:13][CH:14]=2)[N:11]=[CH:10][N:9]=[C:8]3[NH:7][C:4]2[CH:5]=[CH:6][N:2]([CH3:1])[N:3]=2)=[N:24][CH:23]=1 | 1 |
O=C1N(C2=CC=CC=C2C12COC1=CC3=C(OCCO3)C=C12)CC=1C=C(C(=O)OC)C=CC1>>O=C1N(C2=CC=CC=C2C12COC1=CC3=C(OCCO3)C=C12)CC=1C=C(C(=O)O)C=CC1 | 5 |
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