smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
O=C1NC(CCC1N1C(C2=CC=CC(=C2C1=O)NCCCCN1CCC(CC1)CN1CCN(CC1)C(=O)OCC1=CC=CC=C1)=O)=O>C(=O)(C(F)(F)F)O>O=C1NC(CCC1N1C(C2=CC=CC(=C2C1=O)NCCCCN1CCC(CC1)CN1CCNCC1)=O)=O | 3 |
[CH3:1][CH:2]1[C:10]2[C:9](O)=[N:8][CH:7]=[N:6][C:5]=2[CH2:4][S:3]1.O=P(Cl)(Cl)[Cl:14]>>[Cl:14][C:9]1[C:10]2[CH:2]([CH3:1])[S:3][CH2:4][C:5]=2[N:6]=[CH:7][N:8]=1 | 1 |
COC1=CC=C(CN(S(=O)(=O)C2=NN(C(=C2F)C(=O)N2CCOCC2)C(C(=O)OC)(C)C)CC2=CC=C(C=C2)OC)C=C1>C1CCCO1.CO[H].CSC.B>FC=1C(=NN(C1CN1CCOCC1)C(CO)(C)C)S(=O)(=O)N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC | 3 |
CCOC(=O)C1CCC(=O)CC1>O.CCO[H].O.NN.COC(N(C)C)OC>N1N=CC=2CC(CCC12)C(=O)OCC | 3 |
ClC=1C=C(C=C(C1OC(C)C)Cl)C1=NN(C=C1CN(CCN(C(OC(C)(C)C)=O)C)C)C1OCCCC1>CC#N.C(=O)(C(F)(F)F)O.Cl>FC(C(=O)O)(F)F.FC(C(=O)O)(F)F.ClC=1C=C(C=C(C1OC(C)C)Cl)C1=NNC=C1CN(CCNC)C | 3 |
[Si:1]([O:8][CH:9]1[C:13]2=[CH:14][C:15]3[CH:16]=[C:17]([C:21](=[N:25]C(C)(C)C)[CH2:22][CH2:23][CH3:24])[CH:18]=[CH:19][C:20]=3[N:12]2[CH2:11][CH2:10]1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[CH:30]([C:39](OC)=[O:40])([C:35](OC)=[O:36])[C:31]([O:33][CH3:34])=[O:32]>O(C1C=CC=CC=1)C1C=CC=CC=1>[Si:1]([O:8][CH:9]1[C:13]2=[CH:14][C:15]3[CH:16]=[C:17]([C:21]4[NH:25][C:35](=[O:36])[C:30]([C:31]([O:33][CH3:34])=[O:32])=[C:39]([OH:40])[C:22]=4[CH2:23][CH3:24])[CH:18]=[CH:19][C:20]=3[N:12]2[CH2:11][CH2:10]1)([C:4]([CH3:5])([CH3:7])[CH3:6])([CH3:2])[CH3:3] | 1 |
[CH:1]1([N:6]2[CH2:11][CH2:10][N:9]([C:12]([C:14]3[CH:15]=[C:16]4[C:20](=[CH:21][CH:22]=3)[NH:19][C:18]([C:23](O)=[O:24])=[CH:17]4)=[O:13])[CH2:8][CH2:7]2)[CH2:5][CH2:4][CH2:3][CH2:2]1.Cl.F[B-](F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2C=CC=CC=2N=N1.[NH:49]1[CH2:54][CH2:53][S:52](=[O:56])(=[O:55])[CH2:51][CH2:50]1.C(N(CC)C(C)C)(C)C>CN(C)C=O>[CH:1]1([N:6]2[CH2:11][CH2:10][N:9]([C:12]([C:14]3[CH:15]=[C:16]4[C:20](=[CH:21][CH:22]=3)[NH:19][C:18]([C:23]([N:49]3[CH2:54][CH2:53][S:52](=[O:56])(=[O:55])[CH2:51][CH2:50]3)=[O:24])=[CH:17]4)=[O:13])[CH2:8][CH2:7]2)[CH2:2][CH2:3][CH2:4][CH2:5]1 | 1 |
CS[C:3]1[S:4][C:5](=[CH:9][C:10]2[CH:11]=[C:12]3[C:17](=[CH:18][CH:19]=2)[N:16]=[CH:15][C:14]([C:20]#[N:21])=[C:13]3[C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[C:6](=[O:8])[N:7]=1.[NH3:28]>CO>[NH2:28][C:3]1[S:4]/[C:5](=[CH:9]\[C:10]2[CH:11]=[C:12]3[C:17](=[CH:18][CH:19]=2)[N:16]=[CH:15][C:14]([C:20]#[N:21])=[C:13]3[C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)/[C:6](=[O:8])[N:7]=1 | 1 |
C(OC([N:8]1[C@@H:12]([CH2:13][F:14])[C@@H:11]([C:15]2[CH:20]=[CH:19][C:18]([C:21]3[CH:22]=[N:23][C:24]([CH:27]([CH:29]([CH3:31])[CH3:30])[NH2:28])=[CH:25][CH:26]=3)=[CH:17][CH:16]=2)[O:10]C1(C)C)=O)(C)(C)C.[F:34][C:35]([F:40])([F:39])[C:36]([OH:38])=[O:37]>C(Cl)Cl>[OH:38][C:36]([C:35]([F:40])([F:39])[F:34])=[O:37].[NH2:8][C@H:12]([CH2:13][F:14])[C@@H:11]([C:15]1[CH:16]=[CH:17][C:18]([C:21]2[CH:22]=[N:23][C:24]([CH:27]([CH:29]([CH3:31])[CH3:30])[NH2:28])=[CH:25][CH:26]=2)=[CH:19][CH:20]=1)[OH:10] | 1 |
ClC1=C2NC=NC2=NC=N1.C1=CC=C(C=C1)C(CO)N>CCN(CC)CC.C(CCC)O>C1(=CC=CC=C1)C(CO)NC1=C2NC=NC2=NC=N1 | 3 |
ClC=1C=C(C=CC1)[C@H]1OC1.NCCC1=CC=C(C=C1)SC1=CC=C(C=C1)O>CCO[H]>ClC=1C=C(C=CC1)[C@H](CNCCC1=CC=C(C=C1)SC1=CC=C(C=C1)O)O | 3 |
[F:1][C:2]1[CH:7]=[C:6]([I:8])[CH:5]=[CH:4][C:3]=1[NH:9][C:10]1[N:15]([CH3:16])[C:14](=[O:17])[C:13]2[CH:18]=[CH:19][O:20][C:12]=2[C:11]=1[C:21]([OH:23])=O.Cl.C[O:26][CH2:27]N.CC[N:31]=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1>CN(C=O)C>[F:1][C:2]1[CH:7]=[C:6]([I:8])[CH:5]=[CH:4][C:3]=1[NH:9][C:10]1[N:15]([CH3:16])[C:14](=[O:17])[C:13]2[CH:18]=[CH:19][O:20][C:12]=2[C:11]=1[C:21]([NH:31][O:26][CH3:27])=[O:23] | 2 |
[N+](=O)([O-])C=1C=C(C=CC1)NC(C1=CC(=CC=C1)C(F)(F)F)=O>O.C1CCCO1.S(=O)([O-])S(=O)[O-].[Na+].[Na+]>NC=1C=C(C=CC1)NC(C1=CC(=CC=C1)C(F)(F)F)=O | 3 |
[CH3:1][CH:2]([CH2:4][CH:5]([NH:31][C:32]([CH2:34][NH:35][C:36]([CH:38]([NH:47][C:48]([CH:50]([NH:53][C:54]([CH:56]([NH:67][C:68]([CH:70]([NH:77][C:78]([CH:80]1[NH:85][C:83](=[O:84])[CH2:82][CH2:81]1)=[O:79])[CH2:71][C:72]1[NH:76][CH:75]=[N:74][CH:73]=1)=[O:69])[CH2:57][C:58]1[C:66]2[C:61](=[CH:62][CH:63]=[CH:64][CH:65]=2)[NH:60][CH:59]=1)=[O:55])[CH2:51][OH:52])=[O:49])[CH2:39][C:40]1[CH:45]=[CH:44][C:43]([OH:46])=[CH:42][CH:41]=1)=[O:37])=[O:33])[C:6]([NH:8][CH:9]([C:17]([N:19]1[CH:23]([C:24]([NH:26][CH2:27][C:28]([NH2:30])=[O:29])=[O:25])[CH2:22][CH2:21][CH2:20]1)=[O:18])[CH2:10][CH2:11][CH2:12][N:13]=[C:14]([NH2:16])[NH2:15])=[O:7])[CH3:3].[CH2:86]([OH:119])[CH2:87][O:88][CH2:89][CH2:90][O:91][CH2:92][CH2:93][O:94][CH2:95][CH2:96][O:97][CH2:98][CH2:99][O:100][CH2:101][CH2:102][O:103][CH2:104][CH2:105][O:106][CH2:107][CH2:108][O:109][CH2:110][CH2:111][O:112][CH2:113][CH2:114][O:115][CH2:116][CH2:117][OH:118]>C(#N)C.O>[CH3:3][CH:2]([CH2:4][CH:5]([NH:31][C:32]([CH2:34][NH:35][C:36]([CH:38]([NH:47][C:48]([CH:50]([NH:53][C:54]([CH:56]([NH:67][C:68]([CH:70]([NH:77][C:78]([CH:80]1[NH:85][C:83](=[O:84])[CH2:82][CH2:81]1)=[O:79])[CH2:71][C:72]1[NH:76][CH:75]=[N:74][CH:73]=1)=[O:69])[CH2:57][C:58]1[C:66]2[C:61](=[CH:62][CH:63]=[CH:64][CH:65]=2)[NH:60][CH:59]=1)=[O:55])[CH2:51][OH:52])=[O:49])[CH2:39][C:40]1[CH:41]=[CH:42][C:43]([OH:46])=[CH:44][CH:45]=1)=[O:37])=[O:33])[C:6]([NH:8][CH:9]([C:17]([N:19]1[CH:23]([C:24]([NH:26][CH2:27][C:28]([NH2:30])=[O:29])=[O:25])[CH2:22][CH2:21][CH2:20]1)=[O:18])[CH2:10][CH2:11][CH2:12][N:13]=[C:14]([NH2:16])[NH2:15])=[O:7])[CH3:1].[CH2:117]([OH:118])[CH2:116][O:115][CH2:114][CH2:113][O:112][CH2:111][CH2:110][O:109][CH2:108][CH2:107][O:106][CH2:105][CH2:104][O:103][CH2:102][CH2:101][O:100][CH2:99][CH2:98][O:97][CH2:96][CH2:95][O:94][CH2:93][CH2:92][O:91][CH2:90][CH2:89][O:88][CH2:87][CH2:86][OH:119] | 1 |
C(CCC)C1=C(NC2=CC=CC(=C2C1=O)SC)C(=O)OCC>O.Cl.[OH-].[Na+]>Cl.C(CCC)C1=C(NC2=CC=CC(=C2C1=O)SC)C(=O)O | 3 |
O[CH2:2][C:3]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)=[O:4].[CH3:11][C:12]([CH3:14])=[O:13].N1CCCC1>C1(C)C=CC=CC=1>[CH3:11][C:12]1([CH3:14])[O:13][C:10]2[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=2[C:3](=[O:4])[CH2:2]1 | 1 |
[OH:1][C:2]1[C:3]([CH3:18])=[C:4]2[C:9](=[C:10]([CH3:13])[C:11]=1[CH3:12])[O:8][C:7]([CH3:17])([C:14]([OH:16])=O)[CH2:6][CH2:5]2.C1N=CN(C(N2C=NC=C2)=O)C=1.[NH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][OH:38]>>[OH:1][C:2]1[C:3]([CH3:18])=[C:4]2[C:9](=[C:10]([CH3:13])[C:11]=1[CH3:12])[O:8][C:7]([CH3:17])([C:14]([NH:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][OH:38])=[O:16])[CH2:6][CH2:5]2 | 1 |
C1=CC=C(C=C1)OC(=NC#N)OC2=CC=CC=C2.Cl.FCCN>CC#N.C(C)(C)N(C(C)C)CC>FCCNC(OC1=CC=CC=C1)=NC#N | 3 |
N1=CC=C(C=C1)C1=NNC(=N1)CC(=O)N1CC(CC1)NC(OC(C)(C)C)=O>>NC1CN(CC1)C(CC1=NC(=NN1)C1=CC=NC=C1)=O | 5 |
[CH3:1][C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][C:3]=1[N:12]1[C:21](=[O:22])[C:20]2[C:15](=[CH:16][CH:17]=[C:18]([N:23]3[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]3)[CH:19]=2)[N:14]=[CH:13]1.Br[CH2:30][CH:31]1[CH2:33][CH2:32]1.C(=O)([O-])[O-].[K+].[K+].CO>CN(C=O)C.C(OCC)(=O)C>[CH:31]1([CH2:30][N:26]2[CH2:27][CH2:28][N:23]([C:18]3[CH:19]=[C:20]4[C:15](=[CH:16][CH:17]=3)[N:14]=[CH:13][N:12]([C:3]3[CH:4]=[C:5]([CH:10]=[CH:11][C:2]=3[CH3:1])[C:6]([O:8][CH3:9])=[O:7])[C:21]4=[O:22])[CH2:24][CH2:25]2)[CH2:33][CH2:32]1 | 1 |
ClS(=O)(=O)N=C=O.C(C)(C)(C)OC(=O)N1C(=CC=C1)C=1C=C2C(C(NC2=CC1)=O)(C)C>N(C)(C)C=O.C1CCCO1>C(C)(C)(C)OC(=O)N1C(=CC=C1C=1C=C2C(C(NC2=CC1)=O)(C)C)C#N | 3 |
[C-]#N.[Zn+2].[C-]#N.BrC=1C=C2C=C(N=CC2=CC1)N>N(C)(C)C=O.CO[H].[Zn].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>NC=1N=CC2=CC=C(C=C2C1)C#N | 3 |
[C:1]1([C:7]2[C:16]3[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=3)[CH:10]=[CH:9][CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[N+:17]([O-])(O)=O>C(O)(=O)C>[NH2:17][C:4]1[CH:5]=[CH:6][C:1]([C:7]2[C:16]3[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=3)[CH:10]=[CH:9][CH:8]=2)=[CH:2][CH:3]=1 | 1 |
N1N=CC(=C1)C=1C(=NC=CC1)N.ClCC1=CC=C(C=C1)COCC#C>>C(C#C)OCC1=CC=C(CN2N=CC(=C2)C=2C(=NC=CC2)N)C=C1 | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)OC(CCCN)OCC>ClCCl.CCN(CC)CC>C(C)OC(CCCNC(OC(C)(C)C)=O)OCC | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:15][CH2:14][C:11]2([O:13][CH2:12]2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH2:16]([NH:23][CH3:24])[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1>O1CCOCC1>[C:1]([O:5][C:6]([N:8]1[CH2:15][CH2:14][C:11]([CH2:12][N:23]([CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[CH3:24])([OH:13])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
CNC1=NN(C=C1CO)C1=CC=CC=C1>>CNC1=NN(C=C1C=O)C1=CC=CC=C1 | 5 |
[OH:1][C@H:2]([C:22]1[CH:23]=[N:24][CH:25]=[CH:26][CH:27]=1)[CH2:3][NH:4][C@H:5]([CH3:21])[CH2:6][C:7]1[C:15]2[C:10](=[C:11]([O:16][CH2:17][C:18]([OH:20])=[O:19])[CH:12]=[CH:13][CH:14]=2)[NH:9][CH:8]=1.[C:28](=O)([O-])[O-].[K+].[K+].CN(C)[CH:36]=[O:37].[C:39](=O)([O-:50])[O:40][C:41]1(C(I)C)[CH2:46][CH2:45][CH2:44][CH2:43][CH2:42]1>[Cl-].[Na+].O>[CH:41]1([O:40][C:39]([O:37][CH:36]([O:19][C:18](=[O:20])[CH2:17][O:16][C:11]2[CH:12]=[CH:13][CH:14]=[C:15]3[C:10]=2[NH:9][CH:8]=[C:7]3[CH2:6][C@H:5]([NH:4][CH2:3][C@H:2]([OH:1])[C:22]2[CH:23]=[N:24][CH:25]=[CH:26][CH:27]=2)[CH3:21])[CH3:28])=[O:50])[CH2:46][CH2:45][CH2:44][CH2:43][CH2:42]1 | 1 |
COC=1C=CC(=NC1)[C@@H]1[C@H](C1)COC1=NC(=NC=C1C1=CC=C(C#N)C=C1)C.[Cl-].[NH4+].[N]>>N1N=NN=C1C1=CC=C(C=C1)C=1C(=NC(=NC1)C)OC[C@@H]1[C@H](C1)C1=NC=C(C=C1)OC | 5 |
[CH3:1][O:2][C:3]1[CH:17]=[CH:16][CH:15]=[CH:14][C:4]=1[CH2:5][NH:6][CH2:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][N:9]=1.[Br:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]Br.C(=O)([O-])[O-].[K+].[K+]>CC#N>[Br:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][N:6]([CH2:5][C:4]1[CH:14]=[CH:15][CH:16]=[CH:17][C:3]=1[O:2][CH3:1])[CH2:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][N:9]=1 | 1 |
COC(=O)C1=NC=CC(=C1)C(=O)OC>CO[H].[OH-].[K+]>COC(=O)C1=CC(=NC=C1)C(=O)O | 3 |
C(O)(O)=O.[Na].C(C(C)C)(=O)OC1=C(C=CC=C1)Br>C1CCCO1.C1CCCCC1.C(C)(CC)[Li]>OC1=C(C=CC=C1)C(C(C)C)=O | 3 |
BrC=1C=CC(=NC1)C=O>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+].C[Si](C(F)(F)F)(C)C>BrC=1C=CC(=NC1)C(C(F)(F)F)O | 3 |
IC=1N(C=2C=CC=C(C2C1)N[C@@H]1[C@@H](CNCC1)C)CC(F)(F)F>O.CO[H].C(C)(=O)O.C=O.C(#N)[BH3-].[Na+]>CN1C[C@H]([C@H](CC1)NC=1C=2C=C(N(C2C=CC1)CC(F)(F)F)I)C | 3 |
[CH:1]1([CH:4]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[NH:5][C:6]([C:8]2[CH:9]=[C:10]3[C:14](=[CH:15][CH:16]=2)[NH:13][N:12]=[C:11]3I)=[O:7])[CH2:3][CH2:2]1.CC1(C)C(C)(C)OB([C:32]2[CH:47]=[CH:46][C:35]([O:36][CH:37]3[CH2:42][CH2:41][N:40]([CH2:43][CH2:44][OH:45])[CH2:39][CH2:38]3)=[CH:34][CH:33]=2)O1>>[CH:1]1([CH:4]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[NH:5][C:6]([C:8]2[CH:9]=[C:10]3[C:14](=[CH:15][CH:16]=2)[NH:13][N:12]=[C:11]3[C:32]2[CH:33]=[CH:34][C:35]([O:36][CH:37]3[CH2:38][CH2:39][N:40]([CH2:43][CH2:44][OH:45])[CH2:41][CH2:42]3)=[CH:46][CH:47]=2)=[O:7])[CH2:3][CH2:2]1 | 2 |
NC1N=CC(CN2C(=O)C(C3C=CC=CC=3)=C(NC3C=CC(N4CCOCC4)=CC=3)C2=O)=CC=1.COC1C=CC(P2(SP(C3C=CC(OC)=CC=3)(=S)S2)=[S:44])=CC=1.[NH2:57][C:58]1[N:63]=[CH:62][C:61]([CH2:64][N:65]2[C:69](=[S:70])[C:68]([NH:71][C:72]3[CH:77]=[CH:76][C:75]([N:78]4[CH2:83][CH2:82][O:81][CH2:80][CH2:79]4)=[CH:74][CH:73]=3)=[C:67]([C:84]3[CH:89]=[CH:88][CH:87]=[CH:86][CH:85]=3)[C:66]2=O)=[CH:60][CH:59]=1>C1(C)C=CC=CC=1>[NH2:57][C:58]1[N:63]=[CH:62][C:61]([CH2:64][N:65]2[C:66](=[S:44])[C:67]([C:84]3[CH:89]=[CH:88][CH:87]=[CH:86][CH:85]=3)=[C:68]([NH:71][C:72]3[CH:77]=[CH:76][C:75]([N:78]4[CH2:83][CH2:82][O:81][CH2:80][CH2:79]4)=[CH:74][CH:73]=3)[C:69]2=[S:70])=[CH:60][CH:59]=1 | 2 |
[CH2:1]([N:3](CC)[C:4]([C:6]1[CH:11]=[C:10]([C:12]2[CH:13]=[N:14][N:15]([CH2:17][CH2:18][CH2:19][OH:20])[CH:16]=2)[CH:9]=[CH:8][C:7]=1[NH:21][C:22]1[C:27]([C:28]([F:31])([F:30])[F:29])=[CH:26][N:25]=[C:24]([NH:32][C:33]2[CH:45]=[CH:44][C:36]([CH2:37][P:38](=[O:43])([OH:42])[O:39][CH2:40][CH3:41])=[CH:35][C:34]=2[O:46][CH3:47])[N:23]=1)=[O:5])C.OCCCN1C=C(C2C=CC(NC3C(C(F)(F)F)=CN=C(NC4C=CC(CP(=O)(OCC)OCC)=CC=4OC)N=3)=C(C(=O)NC)C=2)C=N1>>[OH:20][CH2:19][CH2:18][CH2:17][N:15]1[CH:16]=[C:12]([C:10]2[CH:9]=[CH:8][C:7]([NH:21][C:22]3[C:27]([C:28]([F:29])([F:30])[F:31])=[CH:26][N:25]=[C:24]([NH:32][C:33]4[CH:45]=[CH:44][C:36]([CH2:37][P:38](=[O:42])([OH:43])[O:39][CH2:40][CH3:41])=[CH:35][C:34]=4[O:46][CH3:47])[N:23]=3)=[C:6]([C:4](=[O:5])[NH:3][CH3:1])[CH:11]=2)[CH:13]=[N:14]1 | 1 |
C(=O)OCC.O[C@H]1[C@]2([C@H]3[C@]([C@H]([C@@H]([C@@](C1)(C=C)C)O)C)(CCC3=O)CC[C@H]2C)C>C1(=CC=CC=C1)C.C[O-].[Na+]>C(=O)O[C@@H]1[C@@](C[C@H]([C@]2([C@H]3[C@]([C@H]1C)(C\C(\C3=O)=C/O)CC[C@H]2C)C)O)(C=C)C | 3 |
B([C:4]1[NH:5][C:6]2[C:11]([CH:12]=1)=[CH:10][C:9]([C:13]([O:15][CH2:16][CH3:17])=[O:14])=[CH:8][CH:7]=2)(O)O.C(=O)([O-])[O-].[Na+].[Na+].Cl[C:25]1[N:30]=[CH:29][N:28]=[C:27](Cl)[CH:26]=1.O=O.[ClH:34]>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>[Cl:34][C:29]1[N:28]=[C:27]([C:4]2[NH:5][C:6]3[C:11]([CH:12]=2)=[CH:10][C:9]([C:13]([O:15][CH2:16][CH3:17])=[O:14])=[CH:8][CH:7]=3)[CH:26]=[CH:25][N:30]=1 | 1 |
CN.BrC1(CCCC1)C(=O)C1=C(C=CC=C1)Cl>>ClC1=C(C=CC=C1)C(C1(CCCC1)O)=NC | 3 |
NC1=NC=CC=C1C1=NC=2C(=NC(=C(C2)C)C)N1C1=CC=C(C=C1)CO>ClCCl.ClS(Cl)=O>ClCC1=CC=C(C=C1)N1C(=NC=2C1=NC(=C(C2)C)C)C=2C(=NC=CC2)N | 3 |
ClC=1C(=NOC1C1=CC=C(C=C1)Cl)C(=O)OCC>>ClC=1C(=NOC1C1=CC=C(C=C1)Cl)C(=O)O | 5 |
Cl.NCC(=O)C1=CC=CC=C1.ClC1=NC(=CC(N1C)=O)C1=CC=NC=C1>>CN1C(=NC(=CC1=O)C1=CC=NC=C1)NCC(C1=CC=CC=C1)=O | 5 |
FC1(F)CCN(C(C2NC3C(C=2)=CC(OC2CCN(C(C)C)CC2)=CC=3)=O)CC1.Cl.ClC1C=C2C(C=C(C(O)=O)N2)=CC=1OC1CCN(C(C)C)CC1.[Cl:54][C:55]1[CH:63]=[C:62]2[C:58]([CH:59]=[C:60]([C:70]([N:72]3[CH2:77][CH2:76][C:75]([F:79])([F:78])[CH2:74][CH2:73]3)=[O:71])[N:61]2C2C=NC=NC=2)=[CH:57][C:56]=1[O:80][CH:81]1[CH2:86][CH2:85][N:84]([CH:87]([CH3:89])[CH3:88])[CH2:83][CH2:82]1>>[Cl:54][C:55]1[CH:63]=[C:62]2[C:58]([CH:59]=[C:60]([C:70]([N:72]3[CH2:77][CH2:76][C:75]([F:78])([F:79])[CH2:74][CH2:73]3)=[O:71])[NH:61]2)=[CH:57][C:56]=1[O:80][CH:81]1[CH2:82][CH2:83][N:84]([CH:87]([CH3:89])[CH3:88])[CH2:85][CH2:86]1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:9]=[C:10]([N:17]3[CH:21]=[CH:20][N:19]=[C:18]3[CH3:22])[O:11][C:12]=2[CH2:13][CH2:14][CH2:15][OH:16])=[CH:4][CH:3]=1.O[C:24]1[CH:29]=[CH:28][C:27]([CH2:30][C:31]([O:33][CH3:34])=[O:32])=[CH:26][CH:25]=1.C(P(CCCC)CCCC)CCC.N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O>O1CCCC1>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[N:9]=[C:10]([N:17]3[CH:21]=[CH:20][N:19]=[C:18]3[CH3:22])[O:11][C:12]=2[CH2:13][CH2:14][CH2:15][O:16][C:24]2[CH:29]=[CH:28][C:27]([CH2:30][C:31]([O:33][CH3:34])=[O:32])=[CH:26][CH:25]=2)=[CH:6][CH:7]=1 | 1 |
BrC1C=C(S(NC2C(O)=CC(Cl)=CN=2)(=O)=O)C=NC=1.[Cl:20][C:21]1[CH:22]=[C:23]([NH:29][S:30]([C:33]2[CH:38]=[CH:37][CH:36]=[C:35]([O:39][C:40]([F:43])([F:42])[F:41])[CH:34]=2)(=[O:32])=[O:31])[C:24]([O:27]C)=[N:25][CH:26]=1.BrC1C=C(S(NC2C(OC)=CC(Cl)=CN=2)(=O)=O)C=NC=1>>[Cl:20][C:21]1[CH:22]=[C:23]([NH:29][S:30]([C:33]2[CH:38]=[CH:37][CH:36]=[C:35]([O:39][C:40]([F:42])([F:41])[F:43])[CH:34]=2)(=[O:32])=[O:31])[C:24]([OH:27])=[N:25][CH:26]=1 | 2 |
C(C)(C)(C)OC(=O)N1CCC(CC1)N1C(N(C2=C1C=CC=C2)C)=O>Cl.C(C)(=O)OCC>N1CCC(CC1)N1C(NC2=C1C=CC=C2)=O | 3 |
N1C=[CH:4][N:3]=[N:2]1.[H-].[Na+].[C:8]([C:12]1([CH2:15][CH2:16][CH2:17][CH2:18][C:19]2[CH:24]=[CH:23][C:22]([F:25])=[CH:21][CH:20]=2)[CH2:14][O:13]1)([CH3:11])([CH3:10])[CH3:9].[CH3:26][N:27](C)C=O>>[N:3]1([CH2:14][C:12]([OH:13])([CH2:15][CH2:16][CH2:17][CH2:18][C:19]2[CH:24]=[CH:23][C:22]([F:25])=[CH:21][CH:20]=2)[C:8]([CH3:11])([CH3:10])[CH3:9])[CH:4]=[N:27][CH:26]=[N:2]1 | 2 |
[CH3:1][O:2][C:3]1[CH:8]=[C:7](/[CH:9]=[CH:10]\[C:11]2[CH:16]=[C:15]([O:17][CH3:18])[C:14]([O:19][CH3:20])=[C:13]([O:21][CH3:22])[CH:12]=2)[CH:6]=[C:5]([O:23][CH3:24])[C:4]=1[OH:25].C(=O)([O-])[O-].[K+].[K+].Br[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][O:38][C:39]1[CH:44]=[CH:43][C:42]([CH:45]2[NH:54][C:53](=[O:55])[C:52]3[C:47](=[CH:48][CH:49]=[CH:50][CH:51]=3)[NH:46]2)=[CH:41][C:40]=1[O:56][CH3:57]>CN(C=O)C.C(OCC)(=O)C.CCCCCC>[CH3:24][O:23][C:5]1[CH:6]=[C:7](/[CH:9]=[CH:10]\[C:11]2[CH:12]=[C:13]([O:21][CH3:22])[C:14]([O:19][CH3:20])=[C:15]([O:17][CH3:18])[CH:16]=2)[CH:8]=[C:3]([O:2][CH3:1])[C:4]=1[O:25][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][O:38][C:39]1[CH:44]=[CH:43][C:42]([CH:45]2[NH:54][C:53](=[O:55])[C:52]3[C:47](=[CH:48][CH:49]=[CH:50][CH:51]=3)[NH:46]2)=[CH:41][C:40]=1[O:56][CH3:57] | 1 |
NC=1C=NC2=CC=CC=C2C1.O.O.O.[O-]C1=CC=CC=C1.[Na+].ClC1=C(C=C(C(=N1)NC1(CCCC1)C(=O)N)F)C#N>O1CCOCC1.[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.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(#N)C=1C=C(C(=NC1NC=1C=NC2=CC=CC=C2C1)NC1(CCCC1)C(=O)N)F | 3 |
C([O:8][CH2:9][CH2:10][C:11](O)=[O:12])C1C=CC=CC=1.S(Cl)(Cl)=O.[CH3:18][CH:19]([OH:21])[CH3:20]>C(Cl)Cl>[OH:12][CH2:11][CH2:10][C:9]([O:21][CH:19]([CH3:20])[CH3:18])=[O:8] | 1 |
C(C1=CC=CC=C1)OC=1C2=C(N3C1C(N(CC3)C)=O)C(CN(C2=O)CC2=CC=C(C=C2)F)C(=O)OC>CCO[H].O.O.[Pd].[HH]>FC1=CC=C(CN2C(C=3C(=C4N(CCN(C4=O)C)C3C(C2)C(=O)OC)O)=O)C=C1 | 3 |
Cl.[CH2:2]([O:4][C:5](=[O:8])[CH2:6][NH2:7])[CH3:3].C([O-])([O-])=O.[K+].[K+].[Br:15][CH2:16][C:17](Br)=[O:18].O>C(Cl)Cl>[CH2:2]([O:4][C:5](=[O:8])[CH2:6][NH:7][C:17](=[O:18])[CH2:16][Br:15])[CH3:3] | 1 |
O=C1NC2=C(CCN1C1CCN(CC1)C(=O)O[C@H](CC1=CC3=C(NC=N3)C(=C1)C)C(=O)O)C=CC=C2.CS(=O)(=O)N1CCC(CC1)C1CCNCC1>>O=C1NC2=C(CCN1C1CCN(CC1)C(=O)O[C@@H](C(=O)N1CCC(CC1)C1CCN(CC1)S(=O)(=O)C)CC1=CC3=C(NC=N3)C(=C1)C)C=CC=C2 | 5 |
B1(OB(OB(O1)C=C)C=C)C=C.C1=CC=NC=C1.ClC1=C(C=C(C=C1)NC(=O)C1=C(C(=NN1C)C(C(F)(F)F)(F)F)I)C(NC1CC1)=O>>ClC1=C(C=C(C=C1)NC(=O)C1=C(C(=NN1C)C(C(F)(F)F)(F)F)C=C)C(NC1CC1)=O | 5 |
[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[C:11]([CH2:27][CH:28]([CH3:30])[CH3:29])=[N:12][C:13]([CH3:26])=[C:14]([C:18]=1[C:19]1[CH:24]=[CH:23][C:22]([CH3:25])=[CH:21][CH:20]=1)[C:15]([OH:17])=[O:16])=[O:7])([CH3:4])([CH3:3])[CH3:2].Br[CH2:32][C:33]1[CH:42]=[CH:41][C:36]([C:37]([O:39][CH3:40])=[O:38])=[CH:35][CH:34]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O.C(OCC)(=O)C>[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[C:11]([CH2:27][CH:28]([CH3:30])[CH3:29])=[N:12][C:13]([CH3:26])=[C:14]([C:18]=1[C:19]1[CH:24]=[CH:23][C:22]([CH3:25])=[CH:21][CH:20]=1)[C:15]([O:17][CH2:32][C:33]1[CH:34]=[CH:35][C:36]([C:37]([O:39][CH3:40])=[O:38])=[CH:41][CH:42]=1)=[O:16])=[O:7])([CH3:4])([CH3:3])[CH3:2] | 2 |
ClC=1C(=C(C=CC1)S(=O)(=O)Cl)C.CC=1C2=C(SC1)C=CC(=C2)N>>ClC=1C(=C(C=CC1)S(=O)(=O)NC1=CC2=C(SC=C2C)C=C1)C | 5 |
C(C1=CC=CC=C1)(=O)NCC(=O)N1CCC(CC1)C(=O)O.ClC=1C=C(/C(/N)=N/O)C=CC1OCC>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>ClC=1C=C(C=CC1OCC)C1=NOC(=N1)C1CCN(CC1)C(CNC(C1=CC=CC=C1)=O)=O | 3 |
[C:1](=[S:11])([S:3][CH2:4][CH2:5][C:6]([F:10])=[C:7]([F:9])[F:8])[NH2:2].Cl.Cl[CH2:14][CH:15]=O>O1CCOCC1>[F:10][C:6](=[C:7]([F:9])[F:8])[CH2:5][CH2:4][S:3][C:1]1[S:11][CH:14]=[CH:15][N:2]=1 | 1 |
[Cl:1][C:2]1[CH:27]=[CH:26][C:5]([O:6][C:7]2[N:8]=[CH:9][C:10]([N:13]3[C@@H:17]([C:18]4[CH:23]=[CH:22][CH:21]=[C:20]([OH:24])[CH:19]=4)[CH2:16][CH2:15][C:14]3=[O:25])=[N:11][CH:12]=2)=[CH:4][CH:3]=1.C([O-])([O-])=O.[K+].[K+].I[CH2:35][CH2:36][OH:37]>CC(C)=O>[OH:37][CH2:36][CH2:35][O:24][C:20]1[CH:19]=[C:18]([C@@H:17]2[N:13]([C:10]3[CH:9]=[N:8][C:7]([O:6][C:5]4[CH:4]=[CH:3][C:2]([Cl:1])=[CH:27][CH:26]=4)=[CH:12][N:11]=3)[C:14](=[O:25])[CH2:15][CH2:16]2)[CH:23]=[CH:22][CH:21]=1 | 1 |
C[O:2][C:3]1[CH:4]=[CH:5][C:6]2[N:10]=[C:9]([C:11]([OH:13])=[O:12])[NH:8][C:7]=2[CH:14]=1>Br>[OH:2][C:3]1[CH:4]=[CH:5][C:6]2[N:10]=[C:9]([C:11]([OH:13])=[O:12])[NH:8][C:7]=2[CH:14]=1 | 1 |
Cl[C:2]1[CH:11]=[CH:10][C:9]2[CH2:8][N:7]([C:12]([O:14][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:13])[CH2:6][CH2:5][C:4]=2[N:3]=1.[CH:19]1([N:23]2[CH2:28][CH2:27][CH:26]([OH:29])[CH2:25][CH2:24]2)[CH2:22][CH2:21][CH2:20]1.CC(C)([O-])C.[K+]>O1CCOCC1.CCOC(C)=O>[CH:19]1([N:23]2[CH2:24][CH2:25][CH:26]([O:29][C:2]3[CH:11]=[CH:10][C:9]4[CH2:8][N:7]([C:12]([O:14][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:13])[CH2:6][CH2:5][C:4]=4[N:3]=3)[CH2:27][CH2:28]2)[CH2:22][CH2:21][CH2:20]1 | 2 |
[OH:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[CH:4][CH:3]=1.[CH2:11](Cl)[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.C(=O)([O-])[O-].[K+].[K+].[OH-].[Na+].Cl>CC(C)=O.O.C(O)C>[CH2:11]([O:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[CH:4][CH:3]=1)[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1 | 1 |
Br[CH:2]([CH3:21])[CH2:3][CH2:4][CH2:5][O:6][CH2:7][CH:8]1[CH2:13][CH2:12][N:11]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[CH2:10][CH2:9]1.[CH3:22][OH:23]>[OH-].[Na+]>[CH3:22][O:23][CH2:21][CH2:2][CH2:3][CH2:4][CH2:5][O:6][CH2:7][CH:8]1[CH2:13][CH2:12][N:11]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[CH2:10][CH2:9]1 | 2 |
C(C1=CC=CC=C1)(=O)OC[C@H]1O[C@H]([C@@H](C1(F)F)OC(C)=O)N1C=2N=C(NC(C2N=C1)=O)NC(C)=O>CO[H].N>NC=1NC(C=2N=CN(C2N1)[C@@H]1O[C@@H](C([C@H]1O)(F)F)CO)=O | 3 |
[Cl:1][C:2]1[CH:22]=[C:21]([CH2:23][N:24]2[CH2:29][CH2:28][N:27]([S:30]([CH2:33][CH2:34][CH2:35]Cl)(=[O:32])=[O:31])[CH2:26][CH2:25]2)[CH:20]=[CH:19][C:3]=1[O:4][CH:5]1[CH2:10][CH2:9][N:8]([C:11]2[N:16]=[CH:15][C:14]([CH2:17][CH3:18])=[CH:13][N:12]=2)[CH2:7][CH2:6]1.[Na+].[I-].[CH3:39][C:40]([O-:42])=[O:41].[Na+]>CN(C=O)C.O>[C:40]([O:42][CH2:35][CH2:34][CH2:33][S:30]([N:27]1[CH2:28][CH2:29][N:24]([CH2:23][C:21]2[CH:20]=[CH:19][C:3]([O:4][CH:5]3[CH2:10][CH2:9][N:8]([C:11]4[N:12]=[CH:13][C:14]([CH2:17][CH3:18])=[CH:15][N:16]=4)[CH2:7][CH2:6]3)=[C:2]([Cl:1])[CH:22]=2)[CH2:25][CH2:26]1)(=[O:31])=[O:32])(=[O:41])[CH3:39] | 2 |
Br[CH2:2][CH2:3][CH2:4][C:5]([O:7][CH2:8][CH3:9])=[O:6].C(=O)([O-])[O-].[K+].[K+].[Cl:16][C:17]1[CH:18]=[C:19]([C:27]2[O:31][N:30]=[C:29]([C:32]3[CH:33]=[CH:34][C:35]([OH:41])=[C:36]4[C:40]=3[O:39][CH:38]=[CH:37]4)[N:28]=2)[CH:20]=[CH:21][C:22]=1[O:23][CH:24]([CH3:26])[CH3:25].O>CN(C=O)C.CO>[Cl:16][C:17]1[CH:18]=[C:19]([C:27]2[O:31][N:30]=[C:29]([C:32]3[C:40]4[O:39][CH:38]=[CH:37][C:36]=4[C:35]([O:41][CH2:2][CH2:3][CH2:4][C:5]([O:7][CH2:8][CH3:9])=[O:6])=[CH:34][CH:33]=3)[N:28]=2)[CH:20]=[CH:21][C:22]=1[O:23][CH:24]([CH3:26])[CH3:25] | 2 |
C(C)OC(=O)C1=NC(=CC=C1)CO>ClCCl.ClS(Cl)=O>ClCC1=CC=CC(=N1)C(=O)OCC | 3 |
[NH:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[CH2:10][N:11]([CH:16]1[C:25]2[N:24]=[CH:23][CH:22]=[CH:21][C:20]=2[CH2:19][CH2:18][CH2:17]1)[CH2:12][CH2:13][CH2:14][NH2:15].O.ON1C2C=CC=CC=2N=N1.[C:37](O)(=[O:44])[C:38]1[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=1>CN(C=O)C.C(OCC)(=O)C.O>[NH:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[CH2:10][N:11]([CH:16]1[C:25]2[N:24]=[CH:23][CH:22]=[CH:21][C:20]=2[CH2:19][CH2:18][CH2:17]1)[CH2:12][CH2:13][CH2:14][NH:15][C:37](=[O:44])[C:38]1[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=1 | 2 |
[N+:1]([C:4]1[CH:5]=[C:6]([CH3:13])[CH:7]=[CH:8][C:9]=1[N+:10]([O-:12])=[O:11])([O-])=O.[CH3:14]N.CO>>[CH3:14][NH:1][C:4]1[CH:5]=[C:6]([CH3:13])[CH:7]=[CH:8][C:9]=1[N+:10]([O-:12])=[O:11] | 1 |
FC1C=C([C:12]2[N:17]=[C:16]3[N:18]([CH2:21][C:22]4[CH:23]=[C:24]5[C:29](=[CH:30][CH:31]=4)[N:28]=[CH:27][CH:26]=[CH:25]5)[N:19]=[N:20][C:15]3=[CH:14][CH:13]=2)C=CC=1C(NC)=O.[F:32][C:33]1[CH:38]=[CH:37][C:36](B(O)O)=[CH:35][CH:34]=1.C(=O)([O-])[O-].[K+].[K+].O1CCOCC1>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>[F:32][C:33]1[CH:38]=[CH:37][C:36]([C:12]2[N:17]=[C:16]3[N:18]([CH2:21][C:22]4[CH:23]=[C:24]5[C:29](=[CH:30][CH:31]=4)[N:28]=[CH:27][CH:26]=[CH:25]5)[N:19]=[N:20][C:15]3=[CH:14][CH:13]=2)=[CH:35][CH:34]=1 | 2 |
CC1(C)C(C)(C)OB([C:9]2[CH2:14][CH2:13][CH:12]([O:15][CH2:16][CH:17]3[CH2:22][CH2:21][N:20]([C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH2:19][CH2:18]3)[CH2:11][CH:10]=2)O1.FC(F)(F)S(O[C:37]1[C:38]([CH3:47])=[N:39][C:40]([S:43]([CH3:46])(=[O:45])=[O:44])=[CH:41][CH:42]=1)(=O)=O.C(=O)([O-])[O-].[Na+].[Na+].CC#N.O>CN(C=O)C>[CH3:47][C:38]1[C:37]([C:9]2[CH2:14][CH2:13][CH:12]([O:15][CH2:16][CH:17]3[CH2:18][CH2:19][N:20]([C:23]([O:25][C:26]([CH3:29])([CH3:27])[CH3:28])=[O:24])[CH2:21][CH2:22]3)[CH2:11][CH:10]=2)=[CH:42][CH:41]=[C:40]([S:43]([CH3:46])(=[O:45])=[O:44])[N:39]=1 | 2 |
FC=1C=C(C(=O)O)C=CC1.NC1=CC=C(C=N1)C1(CCC1)C(=O)NC1=CC=C(C=C1)F>O.c1ccncc1.P(=O)(Cl)(Cl)Cl>FC=1C=C(C(=O)NC2=NC=C(C=C2)C2(CCC2)C(NC2=CC=C(C=C2)F)=O)C=CC1 | 3 |
BrC1=NC=C(C=C1Cl)C>Cl.C(Cl)(Cl)(Cl)Cl.ClCl>ClC1=NC=C(C=C1Cl)C(Cl)(Cl)Cl | 3 |
[CH3:1][N:2]=[C:3]=[O:4].[CH2:5]1[CH:13]2[N:8]([CH2:9][CH2:10][CH:11]([C:14]3[C:22]4[C:17](=[CH:18][CH:19]=[C:20]([NH2:23])[CH:21]=4)[NH:16][CH:15]=3)[CH2:12]2)[CH2:7][CH2:6]1>CN(C)C=O>[CH3:1][NH:2][C:3]([NH:23][C:20]1[CH:21]=[C:22]2[C:17](=[CH:18][CH:19]=1)[NH:16][CH:15]=[C:14]2[CH:11]1[CH2:12][CH:13]2[N:8]([CH2:7][CH2:6][CH2:5]2)[CH2:9][CH2:10]1)=[O:4] | 1 |
O[C@:2]12[CH2:19][CH2:18][C@@:16]3([CH3:17])[C@@H:12]([CH2:13][CH2:14][C:15]3=[O:20])[C@@H:11]1[CH2:10][CH2:9][C:8]1[C@:3]2([CH3:22])[CH2:4][CH2:5][C:6](=[O:21])[CH:7]=1.P(=O)(O)(O)O>O>[CH3:17][C@:16]12[CH2:18][CH:19]=[C:2]3[C@@H:11]([CH2:10][CH2:9][C:8]4[C@:3]3([CH3:22])[CH2:4][CH2:5][C:6](=[O:21])[CH:7]=4)[C@@H:12]1[CH2:13][CH2:14][C:15]2=[O:20] | 1 |
C(Cl)(=O)C(Cl)=O.[Cl:7][C:8]1[N:13]=[C:12]([C:14]([OH:16])=O)[CH:11]=[C:10]([C:17]2[CH:22]=[CH:21][C:20]([C:23]([F:26])([F:25])[F:24])=[CH:19][CH:18]=2)[N:9]=1.[NH:27]1[CH2:32][CH2:31][O:30][CH2:29][CH2:28]1.C(=O)([O-])O.[Na+]>ClCCl.CN(C)C=O>[Cl:7][C:8]1[N:13]=[C:12]([C:14]([N:27]2[CH2:32][CH2:31][O:30][CH2:29][CH2:28]2)=[O:16])[CH:11]=[C:10]([C:17]2[CH:22]=[CH:21][C:20]([C:23]([F:26])([F:25])[F:24])=[CH:19][CH:18]=2)[N:9]=1 | 1 |
C(=O)OCC.CO.C(C)(C)OC(C)=O>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+].[Cl-].[NH4+]>C(=O)C(C(=O)OC)C(C)C | 3 |
[Br:1][C:2]1[C:3]([C:9]#[N:10])=[N:4][CH:5]=[C:6](F)[CH:7]=1.[NH2:11][C@@H:12]1[CH2:17][CH2:16][CH2:15][CH2:14][C@@H:13]1[NH:18][C:19](=[O:25])[O:20][C:21]([CH3:24])([CH3:23])[CH3:22].CCN(C(C)C)C(C)C.O>CS(C)=O.CCOC(C)=O>[Br:1][C:2]1[CH:7]=[C:6]([NH:11][C@@H:12]2[CH2:17][CH2:16][CH2:15][CH2:14][C@@H:13]2[NH:18][C:19](=[O:25])[O:20][C:21]([CH3:23])([CH3:22])[CH3:24])[CH:5]=[N:4][C:3]=1[C:9]#[N:10] | 2 |
C(#N)C1=CC=C(C=C1)NC(=O)N1CC=2N(CC1CO)N=C(C2C(=O)O)I>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.[Cl-].[NH4+].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(#N)C1=CC=C(C=C1)NC(=O)N1CC=2N(CC1CO)N=C(C2C(=O)N)I | 3 |
S(=O)(=O)(O)O.CSC(N)=N.NC=1C(=NC(=C(N1)N)Cl)C(=O)OC(=CC(NC(C)(C)C)=O)C>[OH-].[Na+]>NC=1C(=NC(=C(N1)N)Cl)C(=O)NC(=N)SC | 3 |
BrC=1N=NN(C1NC(O[C@H](C)C=1C(=NC=CC1)Cl)=O)C.BrC1=NC(=C(C(=O)OC)C=C1)C>C1CCCO1.Cl.C(CCC)[Li].C[Si](C)(C)[N-][Si](C)(C)C.[Li+].[Cl-].[Zn+2].[Cl-].Nc1ccccc1-c2ccccc2[Pd]Cl.Nc3ccccc3-c4ccccc4[Pd]Cl.CC(C)c5cc(C(C)C)c(-c6cccc(c6)P(C7CCCCC7)C8CCCCC8)c(c5)C(C)C.CC(C)c9cc(C(C)C)c(c(c9)C(C)C)-c%10ccccc%10P(C%11CCCCC%11)C%12CCCCC%12>ClC1=NC=CC=C1[C@@H](C)OC(=O)NC1=C(N=NN1C)C1=NC(=C(C(=O)OC)C=C1)C | 3 |
C(#N)C1=CC=C(C=C1)S(=O)(=O)Cl>C1CCCO1.CCN(CC)CC.C(C)(=O)OCC.C(O)CN>C(#N)C1=CC=C(C=C1)S(=O)(=O)NCCO | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([F:8])=[CH:4][C:3]=1[CH:9]([S:20]([C:23]1[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=1)(=[O:22])=[O:21])[C:10]1[C:11]([CH3:19])=[CH:12][C:13]([C:16](O)=[O:17])=[N:14][CH:15]=1.[NH2:30][CH2:31][CH2:32][NH:33][C:34](=[O:40])[O:35][C:36]([CH3:39])([CH3:38])[CH3:37].ON1C2C=CC=CC=2N=N1.Cl.C(N=C=NCCCN(C)C)C.CN1CCOCC1>C(Cl)Cl.C(OCC)(=O)C>[F:1][C:2]1[CH:7]=[CH:6][C:5]([F:8])=[CH:4][C:3]=1[CH:9]([S:20]([C:23]1[CH:24]=[CH:25][C:26]([F:29])=[CH:27][CH:28]=1)(=[O:21])=[O:22])[C:10]1[C:11]([CH3:19])=[CH:12][C:13]([C:16]([NH:30][CH2:31][CH2:32][NH:33][C:34](=[O:40])[O:35][C:36]([CH3:38])([CH3:37])[CH3:39])=[O:17])=[N:14][CH:15]=1 | 2 |
[CH3:1][O:2][C:3]1[CH:10]=[C:9]([C:11]([F:14])([F:13])[F:12])[CH:8]=[CH:7][C:4]=1[CH:5]=O.[O-]S([O-])(=O)=O.[Mg+2].Br.[CH2:22]([S:29][C:30]1[CH:31]=[C:32]([CH2:36][CH2:37][NH2:38])[CH:33]=[CH:34][CH:35]=1)[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1.C(N(CC)CC)C>CO>[CH2:22]([S:29][C:30]1[CH:31]=[C:32]2[C:33](=[CH:34][CH:35]=1)[CH:5]([C:4]1[CH:7]=[CH:8][C:9]([C:11]([F:14])([F:13])[F:12])=[CH:10][C:3]=1[O:2][CH3:1])[NH:38][CH2:37][CH2:36]2)[C:23]1[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=1 | 2 |
O1CC(C2=C1C=CC=C2)=O.C(=O)(O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>C1(=CC=CC=C1)C>C(C)OC(CC1=COC2=C1C=CC=C2)=O | 3 |
ClC=1C=C(C=CC1)NC(OC1=CC=CC=C1)=O.C1(CCC1)C1=NNC2=C1CNC(C2)C>ClCCl.CCN(CC)CC>ClC=1C=C(C=CC1)NC(=O)N1CC2=C(CC1C)NN=C2C2CCC2 | 3 |
CC(=C)C.NC1=CC=C(C(=O)OC)C=C1.BrC=1C=CC(=C(C=O)C1)CC>>COC(=O)C=1C=C2C(CC(NC2=CC1)C1=C(C=CC(=C1)Br)CC)(C)C | 5 |
C(C(C)(C)C)(=O)Cl.COC1=CC=CC=2NC(=NC21)CCCN(CCC2(C1C=C(C(C2)CC1)C1=CC=CC=C1)O)C>>COC1=CC=CC=2NC(=NC21)CCCN(CC[C@]2([C@H]1C=C([C@@H](C2)CC1)C1=CC=CC=C1)OC(C(C)(C)C)=O)C | 5 |
FC=1C(=NC=CC1)O.COC(C(CC1CCCC1)N1N=CC(=CC1=O)I)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>COC(C(CC1CCCC1)N1N=CC(=CC1=O)OC1=NC=CC=C1F)=O | 3 |
CC1=CC=CC(=N1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C#N>>CC1=CC=CC(=N1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)N | 5 |
C(CCCC)N.CC1=C(C(=CC(=C1)C)C)S(=O)(=O)OC1=CC(=C(C=C1)CC=1C(=NC(=NC1C)N)OS(=O)(=O)C1=C(C=C(C=C1C)C)C)OC>>NC1=NC(=C(C(=N1)C)CC1=C(C=C(C=C1)O)OC)NCCCCC | 5 |
Cl.ClCCN.ClC1=C(C=C(C(=O)OC)C=C1[N+](=O)[O-])[N+](=O)[O-]>>ClCCNC1=C(C=C(C(=O)OC)C=C1[N+](=O)[O-])[N+](=O)[O-] | 5 |
C(CCCCCCCC)(=O)OCC(COC(CCCCCCCC)=O)O>C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1.C(C)(C)N(C(C)C)CC>C(CCCCCCCC)(=O)OCC(COC(CCCCCCCC)=O)OC(=O)N1C=NC=C1 | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:14]2[CH:19]=[CH:18][C:17]([Cl:20])=[CH:16][CH:15]=2)[CH2:9][C:10]([NH:12][CH3:13])=O)=[CH:4][CH:3]=1.[H-].[Al+3].[Li+].[H-].[H-].[H-].[Cl-].[Al+3].[Cl-].[Cl-]>C(OCC)C>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:14]2[CH:15]=[CH:16][C:17]([Cl:20])=[CH:18][CH:19]=2)[CH2:9][CH2:10][NH:12][CH3:13])=[CH:4][CH:3]=1 | 1 |
FC=1C=C(C=C(C1F)F)O.ClC1(C=2N(CCC1)C(=NN2)C2=CC(=C(C=C2)C2=CN=C(O2)C)OC)C(=O)OCC>>COC=1C=C(C=CC1C1=CN=C(O1)C)C1=NN=C2N1CCCC2(C(=O)OCC)OC2=CC(=C(C(=C2)F)F)F | 5 |
Br[C:2]1[CH:3]=[C:4]([C:8](=[O:24])[C:9]([C:11]2[CH:16]=[CH:15][C:14]([O:17][CH:18]([F:20])[F:19])=[C:13]([CH:21]3[CH2:23][CH2:22]3)[CH:12]=2)=[O:10])[CH:5]=[CH:6][CH:7]=1.[CH3:25][O:26][CH2:27][CH2:28][C:29]#[CH:30].[Al]>C(N(CC)CC)C.C(OCC)C.[Cu](I)I.[Pd].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.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>[CH:21]1([C:13]2[CH:12]=[C:11]([C:9](=[O:10])[C:8]([C:4]3[CH:5]=[CH:6][CH:7]=[C:2]([C:30]#[C:29][CH2:28][CH2:27][O:26][CH3:25])[CH:3]=3)=[O:24])[CH:16]=[CH:15][C:14]=2[O:17][CH:18]([F:20])[F:19])[CH2:23][CH2:22]1 | 2 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12](/[CH:13]=[CH:14]/[C:15]([F:18])([F:17])[F:16])[C:11](=[O:19])[N:10]([CH2:20][C:21]([OH:23])=O)[N:9]=2)=[CH:4][CH:3]=1.Cl.[NH2:25][C@@:26]([C:31]1[CH:36]=[CH:35][CH:34]=[C:33]([C:37]([F:40])([F:39])[F:38])[CH:32]=1)([CH3:30])[C:27]([NH2:29])=[O:28].C(Cl)CCl.C1C=CC2N(O)N=NC=2C=1.C(N(CC)C(C)C)(C)C.Cl>CN(C=O)C>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[N:12](/[CH:13]=[CH:14]/[C:15]([F:17])([F:16])[F:18])[C:11](=[O:19])[N:10]([CH2:20][C:21]([NH:25][C@@:26]([C:31]3[CH:36]=[CH:35][CH:34]=[C:33]([C:37]([F:38])([F:39])[F:40])[CH:32]=3)([CH3:30])[C:27]([NH2:29])=[O:28])=[O:23])[N:9]=2)=[CH:6][CH:7]=1 | 2 |
C1(=CC=CC=C1)S(=O)(=O)Cl.BrC=1C=C(C(=NC1)OCC)N>c1ccncc1>BrC=1C=C(C(=NC1)OCC)NS(=O)(=O)C1=CC=CC=C1 | 3 |
[O:1]=[C:2]1[CH2:6][CH2:5][N:4]([C:7]([O:9][C:10]([CH3:13])([CH3:12])[CH3:11])=[O:8])[CH2:3]1.CO[CH:16](OC)[N:17]([CH3:19])[CH3:18]>>[CH3:16][N:17](/[CH:19]=[C:6]1/[CH2:5][N:4]([C:7]([O:9][C:10]([CH3:13])([CH3:12])[CH3:11])=[O:8])[CH2:3][C:2]/1=[O:1])[CH3:18] | 1 |
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