Datasets:
Derify
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ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
[CH3:1][C:2]1[CH:14]=[C:13]([C:15](=[N:23][O:24][CH2:25][C:26]2[CH:31]=[CH:30][C:29]([C:32]([F:35])([F:34])[F:33])=[CH:28][CH:27]=2)[CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[CH:12]=[CH:11][C:3]=1[O:4][CH2:5][C:6]([O:8]CC)=[O:7].[OH-].[Li+]>C1COCC1.O>[CH3:1][C:2]1[CH:14]=[C:13]([C:15](=[N:23][O:24][CH2:25][C:26]2[CH:27]=[CH:28][C:29]([C:32]([F:33])([F:34])[F:35])=[CH:30][CH:31]=2)[CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[CH:12]=[CH:11][C:3]=1[O:4][CH2:5][C:6]([OH:8])=[O:7]
2
[CH3:1]OC1C=C(NC2N=C(NC3C=CC(C(OC)=O)=C(OC)C=3)C(F)=CN=2)C=CC=1C(OC)=O.[CH3:34][C:35]1[CH:40]=[C:39]([N+:41]([O-:43])=[O:42])[CH:38]=[C:37]([CH3:44])[C:36]=1[OH:45].C(=O)([O-])[O-].[K+].[K+].IC>>[CH3:34][C:35]1[CH:40]=[C:39]([N+:41]([O-:43])=[O:42])[CH:38]=[C:37]([CH3:44])[C:36]=1[O:45][CH3:1]
1
[CH3:1][N:2]1[CH:6]=[C:5]([C:7]2[CH:8]=[C:9]([NH:13][C:14]3[C:18]4[CH2:19][N:20]([C:23](=[O:25])[CH3:24])[CH2:21][CH2:22][C:17]=4[NH:16][N:15]=3)[CH:10]=[CH:11][CH:12]=2)[CH:4]=[N:3]1.C([O-])([O-])=O.[Cs+].[Cs+].[F:32][C:33]([F:37])([F:36])[CH2:34]I>CN(C=O)C>[CH3:1][N:2]1[CH:6]=[C:5]([C:7]2[CH:8]=[C:9]([NH:13][C:14]3[C:18]4[CH2:19][N:20]([C:23](=[O:25])[CH3:24])[CH2:21][CH2:22][C:17]=4[N:16]([CH2:34][C:33]([F:37])([F:36])[F:32])[N:15]=3)[CH:10]=[CH:11][CH:12]=2)[CH:4]=[N:3]1
2
C([O:8][N:9]1[C:14]2[N:15]=[CH:16][N:17]=[C:18]([CH3:19])[C:13]=2[C:12]([NH:20][CH2:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=2[OH:28])=[CH:11][C:10]1=[O:29])C1C=CC=CC=1.CO.[H][H]>[C].[Pd].O1CCOCC1>[OH:8][N:9]1[C:14]2[N:15]=[CH:16][N:17]=[C:18]([CH3:19])[C:13]=2[C:12]([NH:20][CH2:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=2[OH:28])=[CH:11][C:10]1=[O:29]
2
BrCC1=C(C=CC=C1OC(F)F)N1N=NN(C1=O)C.CC1=C(C=CC(=C1)N1N=C(C(=C1C)C)C)O>>FC(OC=1C(=C(C=CC1)N1N=NN(C1=O)C)COC1=C(C=C(C=C1)N1N=C(C(=C1C)C)C)C)F
5
CC1=C(C=CC=C1)B(O)O.ClC1=NN=C(C2=CC(=C(C=C12)C1=C(C=CC=C1O)F)Cl)N1CCN(CC1)C(C=C)=O>O1CCOCC1.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=C(C=C2C(=NN=C(C2=C1)N1CCN(CC1)C(C=C)=O)C1=C(C=CC=C1)C)C1=C(C=CC=C1O)F
3
[O:1]1[CH2:6][CH2:5][N:4]([C:7]2[CH:12]=[C:11]3[NH:13][CH2:14][C:15]4([CH2:20][CH2:19][O:18][CH2:17][CH2:16]4)[C:10]3=[CH:9][CH:8]=2)[CH2:3][CH2:2]1.CN(C=O)C.[H-].[Na+].Cl[C:29]1[C:38]2[C:33](=[CH:34][C:35]([F:39])=[CH:36][CH:37]=2)[N:32]=[C:31]([C:40]2[CH:45]=[CH:44][CH:43]=[CH:42][C:41]=2[F:46])[C:30]=1[CH3:47]>CCOC(C)=O>[F:39][C:35]1[CH:34]=[C:33]2[C:38]([C:29]([N:13]3[C:11]4[C:10](=[CH:9][CH:8]=[C:7]([N:4]5[CH2:3][CH2:2][O:1][CH2:6][CH2:5]5)[CH:12]=4)[C:15]4([CH2:20][CH2:19][O:18][CH2:17][CH2:16]4)[CH2:14]3)=[C:30]([CH3:47])[C:31]([C:40]3[CH:45]=[CH:44][CH:43]=[CH:42][C:41]=3[F:46])=[N:32]2)=[CH:37][CH:36]=1
1
[C:1]([NH:18][CH2:19][C:20]([OH:22])=O)([O:3][CH2:4][CH:5]1[C:17]2[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=2)[C:11]2[C:6]1=[CH:7][CH:8]=[CH:9][CH:10]=2)=[O:2].[CH:23]1(N=C=NC2CCCCC2)CC[CH2:26][CH2:25][CH2:24]1.[OH2:38].ON1[C:44]2[CH:45]=[CH:46][CH:47]=[CH:48][C:43]=2N=N1.CO[C:51]1[CH:85]=[CH:84][C:54]([C:55]([O:70][CH2:71][CH2:72][CH2:73][CH2:74][CH2:75][CH2:76][CH2:77][CH2:78][CH2:79][CH2:80][CH2:81]CN)(C2C=CC=CC=2)[C:56]2[CH:61]=[CH:60][C:59]([O:62][CH3:63])=[CH:58][CH:57]=2)=[CH:53][CH:52]=1.C[N:87]([CH3:90])[CH:88]=[O:89]>>[C:1]([NH:18][CH2:19][C:20]([NH:87][CH2:90][C:71]([OH:70])=[O:38])=[O:22])([O:3][CH2:4][CH:5]1[C:6]2[C:11](=[CH:10][CH:9]=[CH:8][CH:7]=2)[C:12]2[C:17]1=[CH:16][CH:15]=[CH:14][CH:13]=2)=[O:2].[CH3:1][O:2][CH:77]([CH2:78][CH2:79][CH2:80][CH2:81][CH2:23][CH2:24][CH2:25][CH3:26])[CH2:76][CH:75]([CH2:74][CH2:73][CH2:72][CH2:71][O:70][C:55]([C:54]1[CH:84]=[CH:85][CH:51]=[CH:52][CH:53]=1)([C:56]1[CH:61]=[CH:60][C:59]([O:62][CH3:63])=[CH:58][CH:57]=1)[C:43]1[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=1)[C:88]([NH2:87])=[O:89]
1
Br.Br[CH2:3][C:4]([C:6]1[CH:7]=[N:8][CH:9]=[CH:10][CH:11]=1)=[O:5].[Na].[BH4-].[Na+].[CH2:15]([NH2:18])[CH2:16][CH3:17]>C(O)C>[N:8]1[CH:9]=[CH:10][CH:11]=[C:6]([CH:4]([OH:5])[CH2:3][NH:18][CH2:15][CH2:16][CH3:17])[CH:7]=1
1
[CH2:1]([O:3][C:4]([CH2:6][C:7]([N:9]1[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]1)=O)=[O:5])[CH3:2].P12(SP3(SP(SP(S3)(S1)=S)(=S)S2)=S)=[S:16]>C1(C)C=CC=CC=1>[S:16]=[C:11]1[CH2:12][CH2:13][CH2:14][N:9]([CH2:7][CH2:6][C:4]([O:3][CH2:1][CH3:2])=[O:5])[CH2:10]1
1
C(C)(C)(C)[Si](C)(C)Cl.OC=1C=CC=C2C=CC(=NC12)C>N(C)(C)C=O.O.c1cnc[nH]1>[Si](C)(C)(C(C)(C)C)OC=1C=CC=C2C=CC(=NC12)C
3
COC(C(CC1CCCC1)N1C(C(C2=CC(=CC=C12)OC(F)(F)F)=O)=O)=O>O.C1CCCO1.O[Li].O>C1(CCCC1)CC(C(=O)O)N1C(C(C2=CC(=CC=C12)OC(F)(F)F)=O)=O
3
S(C1C=CC(C)=CC=1)([O-])(=O)=O.[NH2:12][C@@H:13]([CH3:23])[C:14]([O:16][CH2:17][CH2:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:15].[P:24](Cl)(Cl)(=[O:36])[O:25][C:26]1[C:35]2[C:30](=[CH:31][CH:32]=[CH:33][CH:34]=2)[CH:29]=[CH:28][CH:27]=1.C(Cl)[Cl:40]>>[Cl:40][C:27]1[CH:28]=[CH:29][C:30]2[C:35](=[CH:34][CH:33]=[CH:32][CH:31]=2)[C:26]=1[O:25][P:24](=[N:12][C@@H:13]([CH3:23])[C:14]([O:16][CH2:17][CH2:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:15])=[O:36]
1
[CH3:1][N:2]([CH3:11])[S:3]([N:6]1[CH:10]=[CH:9][CH:8]=[N:7]1)(=[O:5])=[O:4].C([Li])CCC.[Br:17]C(Cl)(Cl)C(Br)(Cl)Cl>C1COCC1>[CH3:1][N:2]([CH3:11])[S:3]([N:6]1[CH:10]=[CH:9][C:8]([Br:17])=[N:7]1)(=[O:4])=[O:5]
2
NC1=C(SC2=NC(=CC=C21)C)C(=O)NCCC2=CC=C(C=C2)N2C[C@@H](CC2)NC(OC(C)(C)C)=O>CO[H].Cl.O1CCOCC1>NC1=C(SC2=NC(=CC=C21)C)C(=O)NCCC2=CC=C(C=C2)N2C[C@@H](CC2)N
3
C(C)(=O)NC1=C(C(=O)OC)C=CC(=C1)Br>N(C)(C)C=O.O.ClN1C(CCC1=O)=O>C(C)(=O)NC1=C(C(=O)OC)C=C(C(=C1)Br)Cl
3
N1=CC=C(C=C1)B(O)O.BrC1=CC2=C(NC(=N2)[C@@H](CC(C)C)NC(OCC2=CC=CC=C2)=O)C=C1>CC#N.ClCCl.C(O)([O-])=O.[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]>CC(C[C@H](C1=NC2=C(N1)C=CC(=C2)C2=CC=NC=C2)NC(OCC2=CC=CC=C2)=O)C
3
Cl[C:2]1[C:7]([C:8]([O:10][CH2:11][CH3:12])=[O:9])=[CH:6][N:5]=[C:4]2[N:13]([CH2:16][CH3:17])[N:14]=[CH:15][C:3]=12.Cl.Cl.[F:20][C:21]([F:40])([F:39])[C:22]1[CH:31]=[C:30]2[C:25]([C:26]([S:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][NH2:38])=[CH:27][CH:28]=[N:29]2)=[CH:24][CH:23]=1.C(N(CC)CC)C>CCO>[F:40][C:21]([F:20])([F:39])[C:22]1[CH:31]=[C:30]2[C:25]([C:26]([S:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][NH:38][C:2]3[C:7]([C:8]([O:10][CH2:11][CH3:12])=[O:9])=[CH:6][N:5]=[C:4]4[N:13]([CH2:16][CH3:17])[N:14]=[CH:15][C:3]=34)=[CH:27][CH:28]=[N:29]2)=[CH:24][CH:23]=1
2
[N+:1]([C:4]1[CH:5]=[CH:6][CH:7]=[C:8]2[C:12]=1[NH:11][N:10]=[CH:9]2)([O-:3])=[O:2].[OH-].[K+].[I:15]I>CN(C=O)C.S(=O)(O)[O-].[Na+]>[I:15][C:9]1[C:8]2[C:12](=[C:4]([N+:1]([O-:3])=[O:2])[CH:5]=[CH:6][CH:7]=2)[NH:11][N:10]=1
1
ClC1=C(C=CC=C1)CC(=O)NC1=CC(=C(C=C1)C=1OC(=NN1)C(F)(F)F)S(NCC1=C(C=C(C=C1)OC)OC)(=O)=O>ClCCl.C(=O)(C(F)(F)F)O>ClC1=C(C=CC=C1)CC(=O)NC1=CC(=C(C=C1)C=1OC(=NN1)C(F)(F)F)S(N)(=O)=O
3
BrC1=C(N=CS1)C>O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+]>CC=1SC(=CN1)B1OC(C(O1)(C)C)(C)C
3
BrCC(=O)C=1N=C(SC1)C(F)(F)F.C(=O)(OC)COC1=CC=C(C=C1)CC(C)NCC(C=1N=C(SC1)C(F)(F)F)O>C([O-])(O)=O.[K+].CC(=O)C>C(=O)(OC)COC1=CC=C(C=C1)CC(C)N1CC(OC(C1)C=1N=C(SC1)C(F)(F)F)(C=1N=C(SC1)C(F)(F)F)O
3
C(C1=CC=CC=C1)OC1=CC(=CC2=C1C=C(O2)C=2N=C1SC(=NN1C2)Br)Cl>>C(C1=CC=CC=C1)OC1=CC(=CC2=C1C=C(O2)C=2N=C1SC(=NN1C2)OC)Cl
5
Cl.FC1([C@@H](CN[C@@H]1CO)NS(=O)(=O)C)F.FC1=C(C(=CC=C1)F)C1=CC(=CC2=C1C(=NO2)NC(OCC(Cl)(Cl)Cl)=O)C>C1CCCO1>FC1=C(C(=CC=C1)F)C1=CC(=CC2=C1C(=NO2)NC(=O)N2[C@@H](C([C@@H](C2)NS(=O)(=O)C)(F)F)CO)C
3
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([NH:8][C:9]([C:11]2[O:19][C:18]3[C:13](=[N:14][C:15]([NH:20]C(=O)OC(C)(C)C)=[CH:16][CH:17]=3)[C:12]=2[NH:28][C:29]([C@H:31]2[CH2:36][CH2:35][C@H:34]([N:37]3[CH2:42][CH2:41][O:40][CH2:39][C:38]3=[O:43])[CH2:33][CH2:32]2)=[O:30])=[O:10])=[N:6][CH:7]=1.Cl.O1CCOCC1>CO>[ClH:1].[NH2:20][C:15]1[N:14]=[C:13]2[C:12]([NH:28][C:29]([C@H:31]3[CH2:36][CH2:35][C@H:34]([N:37]4[CH2:42][CH2:41][O:40][CH2:39][C:38]4=[O:43])[CH2:33][CH2:32]3)=[O:30])=[C:11]([C:9]([NH:8][C:5]3[CH:4]=[CH:3][C:2]([Cl:1])=[CH:7][N:6]=3)=[O:10])[O:19][C:18]2=[CH:17][CH:16]=1
1
[NH:1]1[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.N1CCCC1.[CH3:12][O:13][C:14](=[O:22])[C:15]1[CH:20]=[CH:19][CH:18]=[C:17](Br)[CH:16]=1.COC(=O)C1C=CC(Br)=CC=1>>[CH3:12][O:13][C:14](=[O:22])[C:15]1[CH:20]=[CH:19][CH:18]=[C:17]([N:1]2[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]2)[CH:16]=1
2
C(C)(=O)OC(=C(C(=O)OC)C1=CC=NC=C1)C1=CN=C(N1CC1=C(C=CC=C1)Cl)CCCC>C1(=CC=CC=C1)C.C(C)OCC.C1CCC2=NCCCN2CC1>C(CCC)C=1N(C(=CN1)/C=C(/C(=O)OC)\CC1=CC=NC=C1)CC1=C(C=CC=C1)Cl
3
C(C)(C)(C)N1C(C2=C(C(=C3N2CCC=2C=C(C(=CC32)[C@H]3[C@@H](OC(O3)(C)C)C(=O)OCC)OC)C=3SC=CC3)CCCC1)=O>C1CCCO1.CCO[H].[BH4-].[Li+]>C(C)(C)(C)N1C(C2=C(C(=C3N2CCC=2C=C(C(=CC32)[C@H]3[C@H](OC(O3)(C)C)CO)OC)C=3SC=CC3)CCCC1)=O
3
OC(C(=O)O)(C)CC.NC=1SC(=NN1)C(=O)C1=CC=CC=C1>O.ClS(Cl)=O.CN(C(C)=O)C>C1(=CC=CC=C1)C(=O)C1=NN=C(S1)NC(C(CC)(C)O)=O
3
FC1=CC=C(C=C1)N1C(N(C=C(C1=O)C(=O)O)C(C)C)=O.NC1=CC(=C(OC2=C(C(=NC=C2)N)C=2C=NN(C2)CCC)C=C1)F>N(C)(C)C=O.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>NC1=NC=CC(=C1C=1C=NN(C1)CCC)OC1=C(C=C(C=C1)NC(=O)C=1C(N(C(N(C1)C(C)C)=O)C1=CC=C(C=C1)F)=O)F
3
FC(C=1C(=NNC1C(=O)OCC)C(=O)OCC)(F)F.BrCC(=O)C1=CC(=C(C=C1)C)F>C([O-])([O-])=O.[K+].[K+].CC(=O)C>FC=1C=C(C=CC1C)C(CN1N=C(C(=C1C(=O)OCC)C(F)(F)F)C(=O)OCC)=O
3
OC[C@H]1C=C[C@H](C1)NC(OC(C)(C)C)=O>>C(C)(C)(C)OC(N[C@H]1C[C@H](CC1)CO)=O
5
ClCC=1C=NC=C(C#N)C1.ClC=1C(=CC(=C(C=O)C1)O)OCC=1C(=C(C=CC1)C1=C(C(=CC=C1)COCC1=CC=C(C=C1)OC)C)C>N(C)(C)C=O.O.ClCCl.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=CC(=C(OCC=2C=NC=C(C#N)C2)C=C1OCC=1C(=C(C=CC1)C1=C(C(=CC=C1)COCC1=CC=C(C=C1)OC)C)C)C=O
3
BrCC1=NC(=CC=C1OC)OC>[I-].[Na+].CS(=O)C.C(O)([O-])=O.[Na+]>COC=1C(=NC(=CC1)OC)C=O
3
Br[C:2]1[CH:25]=[CH:24][C:5]2[C:6]3[N:7]=[C:8]([C:14]4[N:15]([CH2:19][C:20]([F:23])([F:22])[F:21])[N:16]=[CH:17][N:18]=4)[S:9][C:10]=3[CH2:11][CH2:12][O:13][C:4]=2[CH:3]=1.[Cl:26][CH2:27][CH2:28][N:29]1[CH:33]=[C:32](B2OC(C)(C)C(C)(C)O2)[CH:31]=[N:30]1.C(=O)([O-])[O-].[K+].[K+]>C(#N)C.O.CCOC(C)=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:26][CH2:27][CH2:28][N:29]1[CH:33]=[C:32]([C:2]2[CH:25]=[CH:24][C:5]3[C:6]4[N:7]=[C:8]([C:14]5[N:15]([CH2:19][C:20]([F:22])([F:23])[F:21])[N:16]=[CH:17][N:18]=5)[S:9][C:10]=4[CH2:11][CH2:12][O:13][C:4]=3[CH:3]=2)[CH:31]=[N:30]1
1
OCNC(C(F)(F)F)=O>ClCCl.ClS(Cl)=O>FC(C(=O)NCCl)(F)F
3
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:13](=[O:14])[CH2:12][CH:11]3[CH2:15][S:16][C:17]4[CH:22]=[CH:21][C:20]([CH3:23])=[CH:19][C:18]=4[C:10]3=[N:9]2)=[CH:4][CH:3]=1.BrBr.O>C(O)(=O)C>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([N:8]2[C:13](=[O:14])[CH:12]=[C:11]3[CH2:15][S:16][C:17]4[CH:22]=[CH:21][C:20]([CH3:23])=[CH:19][C:18]=4[C:10]3=[N:9]2)=[CH:6][CH:7]=1
1
[C:1]([O:5][C:6]([NH:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[S:16][CH:17]=[CH:18][CH:19]=2)=[CH:11][C:10]=1[NH:20][C:21]([C:23]1[CH:28]=[CH:27][C:26]([CH:29]([OH:33])[C:30]([OH:32])=O)=[CH:25][CH:24]=1)=[O:22])=[O:7])([CH3:4])([CH3:3])[CH3:2].C[CH2:35][N:36]=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.Cl.CN.C(N(C(C)C)CC)(C)C>CN(C=O)C.O>[C:1]([O:5][C:6](=[O:7])[NH:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[S:16][CH:17]=[CH:18][CH:19]=2)=[CH:11][C:10]=1[NH:20][C:21](=[O:22])[C:23]1[CH:24]=[CH:25][C:26]([CH:29]([OH:33])[C:30](=[O:32])[NH:36][CH3:35])=[CH:27][CH:28]=1)([CH3:3])([CH3:4])[CH3:2]
2
FC1=C(C=CC=C1)F>O(O[H])[H].C1CCCO1.C(CCC)[Li].COB(OC)OC>FC1=C(C=CC=C1F)O
3
C1(=CC=CC=C1)[Mg]Br.C(C)(C)(C)OC(=O)N1[C@H](CC(C1)=O)[C@@H]1[C@@H](N(C(O1)(C)C)C(C)=O)CC1=CC(=CC(=C1)F)F>C(C)OCC>C(C)(C)(C)OC(=O)N1[C@H](C[C@@](C1)(C1=CC=CC=C1)O)[C@@H]1[C@@H](N(C(O1)(C)C)C(C)=O)CC1=CC(=CC(=C1)F)F
3
ClC=1C=C(C=C(C1)Cl)C1=NN(C(=C1)OCCCO)C1=CC2=CC=CC=C2C=C1>>ClC=1C=C(C=C(C1)Cl)C1=NN(C(=C1)OCCC(=O)O)C1=CC2=CC=CC=C2C=C1
5
C(=O)N1C=2N(CCC1)N=CC2>N(C)(C)C=O.C([O-])([O-])=O.[Na+].[Na+].P(=O)(Cl)(Cl)Cl>N1=CC(=C2N1CCCN2)C=O
3
COC(C1=C(C=CC=C1)N)=O.BrC(C)C=1C=C(C=C2C(C(=C(OC12)SCC)C)=O)C>N(C)(C)C=O>C(C)SC=1OC2=C(C=C(C=C2C(C1C)=O)C)C(C)NC1=C(C(=O)OC)C=CC=C1
3
[CH3:1][C:2]1[C:6]([C:7]2[CH:8]=[C:9]3[CH:15]=[CH:14][NH:13][C:10]3=[N:11][CH:12]=2)=[C:5]([CH3:16])[O:4][N:3]=1.[S:17]1[CH2:22][CH2:21][CH:20]([CH:23]=[O:24])[CH2:19][CH2:18]1.[OH-].[K+].O.[CH3:28]O>>[CH3:28][O:24][CH:23]([CH:20]1[CH2:21][CH2:22][S:17][CH2:18][CH2:19]1)[C:15]1[C:9]2[C:10](=[N:11][CH:12]=[C:7]([C:6]3[C:2]([CH3:1])=[N:3][O:4][C:5]=3[CH3:16])[CH:8]=2)[NH:13][CH:14]=1
2
C(CCCCl)(Cl)=O.C(#N)C=1C=C2C=CNC2=CC1>ClCCl>ClCCCC(=O)C1=CNC2=CC=C(C=C12)C#N
3
C1(=CC=CC=C1)C1(CCC1)C(=O)O.NC1=C(C(NC(N1C)=O)=O)NC[C@@H]1CC[C@H](CC1)C>>NC1=C(C(NC(N1C)=O)=O)N(C(=O)C1(CCC1)C1=CC=CC=C1)C[C@@H]1CC[C@H](CC1)C
5
C(CCCCCC)N.C(C)OC(C(C)(OC1=CC=C(C=C1)C=O)C)=O>CCO[H].[HH].[Pd]C>C(C)OC(C(C)(C)OC1=CC=C(C=C1)CNCCCCCCC)=O
3
O=C(C(C(C1=CC=NC=C1)=O)NC(OC(C)(C)C)=O)N1CCCC1>>C(C)(C)(C)OC(=O)NC(C(=O)N1CCCC1)C(C1=CC=NC=C1)=NO
5
ClC1=NC2=CC=C(C=C2C=C1C=O)Cl>ClCCl.ClCCCl.[O-]S(=O)(=O)[O-].[Cu+2].C(C)(C)(C)[S@@](=O)N>ClC1=NC2=CC=C(C=C2C=C1\C=N\[S@](=O)C(C)(C)C)Cl
3
NC=1C(=NC(=CN1)N1CCN(CC1)S(=O)(=O)CC)C(=O)NCC(C1=CC=CC=C1)=O>S(O)(O)(=O)=O>C(C)S(=O)(=O)N1CCN(CC1)C=1N=C(C(=NC1)N)C=1OC(=CN1)C1=CC=CC=C1
3
CNC=1C=2N(C3=CC=CC=C3N1)C=CN2>>BrC1=CN=C2N1C1=CC=CC=C1N=C2NC
5
[NH2:1][C:2]1[C:7]2[C:8](=[O:33])[CH:9]=[C:10]([C:12]3[CH:17]=[CH:16][C:15]([NH:18][CH2:19][CH2:20][CH2:21][N:22]4C(=O)C5=CC=CC=C5C4=O)=[CH:14][CH:13]=3)[O:11][C:6]=2[C:5]([F:34])=[CH:4][CH:3]=1>CN(C)C=O.CO.O.NN>[NH2:1][C:2]1[C:7]2[C:8](=[O:33])[CH:9]=[C:10]([C:12]3[CH:13]=[CH:14][C:15]([NH:18][CH2:19][CH2:20][CH2:21][NH2:22])=[CH:16][CH:17]=3)[O:11][C:6]=2[C:5]([F:34])=[CH:4][CH:3]=1
1
CS(=O)(=O)OCCC(CC)(C1=CNC2=C(C=CC=C12)CSC)C1=CC=C(C=C1)Cl>>ClC1=CC=C(C=C1)C(CCC#N)(CC)C1=CNC2=C(C=CC=C12)CSC
5
[NH2:1][C:2]1[C:3]([CH3:12])=[N:4][C:5]2[C:10]([CH:11]=1)=[CH:9][CH:8]=[CH:7][CH:6]=2.Cl[C:14]([O:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)=[O:15]>C(Cl)Cl>[CH3:12][C:3]1[C:2]([NH:1][C:14](=[O:15])[O:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)=[CH:11][C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[N:4]=1
1
CI.FC(C(O)C=1C=C(C(=O)OC)C=CC1)(F)F>>FC(C(OC)C=1C=C(C(=O)OC)C=CC1)(F)F
5
[C:1]([N:9]1[CH:14]=[CH:13][CH:12]([C:15]2[C:23]3[C:18](=[CH:19][CH:20]=[C:21]([F:24])[CH:22]=3)[NH:17][CH:16]=2)[CH:11]=[CH:10]1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H][H]>[Pd].CN(C)C(=O)C>[C:1]([N:9]1[CH2:14][CH2:13][CH:12]([C:15]2[C:23]3[C:18](=[CH:19][CH:20]=[C:21]([F:24])[CH:22]=3)[NH:17][CH:16]=2)[CH2:11][CH2:10]1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
1
C[O:2][C:3]1[C:12]2[O:11][CH2:10][CH2:9][O:8][C:7]=2[C:6]([O:13]C)=[CH:5][C:4]=1[C:15](=[O:25])[CH2:16][C:17]([C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)=[O:18].B(Br)(Br)Br>C(Cl)Cl>[OH:2][C:3]1[C:12]2[O:11][CH2:10][CH2:9][O:8][C:7]=2[C:6]([OH:13])=[CH:5][C:4]=1[C:15](=[O:25])[CH2:16][C:17]([C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)=[O:18]
2
[C:1]1([C:7]2[O:11][N:10]=[C:9]([C:12]([OH:14])=O)[CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C1N=CN(C(N2C=NC=C2)=O)C=1.[NH2:27][CH2:28][CH2:29][NH:30][C:31](=[O:37])[O:32][C:33]([CH3:36])([CH3:35])[CH3:34].CCN(C(C)C)C(C)C>C(Cl)Cl>[C:1]1([C:7]2[O:11][N:10]=[C:9]([C:12]([NH:27][CH2:28][CH2:29][NH:30][C:31](=[O:37])[O:32][C:33]([CH3:35])([CH3:34])[CH3:36])=[O:14])[CH:8]=2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1
2
[C:1]([NH:4][NH2:5])(=[O:3])[CH3:2].C(N(C(C)C)CC)(C)C.[CH3:15][C:16]1[C:21]([CH3:22])=[C:20]([N:23]2[CH2:28][CH2:27][N:26]([C:29]3[CH:34]=[CH:33][C:32]([C:35]([F:38])([F:37])[F:36])=[CH:31][N:30]=3)[CH2:25][CH2:24]2)[N:19]=[N:18][C:17]=1[CH2:39][C:40](O)=[O:41].C1C=CC2N(O)N=NC=2C=1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C=O)C>[CH3:15][C:16]1[C:21]([CH3:22])=[C:20]([N:23]2[CH2:28][CH2:27][N:26]([C:29]3[CH:34]=[CH:33][C:32]([C:35]([F:38])([F:37])[F:36])=[CH:31][N:30]=3)[CH2:25][CH2:24]2)[N:19]=[N:18][C:17]=1[CH2:39][C:40]([NH:5][NH:4][C:1](=[O:3])[CH3:2])=[O:41]
1
ClC1=CC(=C(C=N1)N)I.[Si](C)(C)(C(C)(C)C)OCC=O>>ClC1=CC(=C(C=N1)NCCO)I
5
C(C)(=O)N1CCC(CC1)=O.C(C)(=O)C=1C=C(C=CC1O)C1=CC(=CC=C1)C#N>CO[H].C1CCNC1>C(C)(=O)N1CCC2(CC1)OC1=CC=C(C=C1C(C2)=O)C=2C=C(C#N)C=CC2
3
Cl[C:2]1[C:3]2[N:4]([C:15]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)=[N:16][N:17]=2)[CH:5]=[C:6]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH:7]=1.[Br-].[CH3:25][C:26]1[CH:27]=[CH:28][C:29]([Zn+])=[N:30][CH:31]=1>O1CCOCC1.CC(C)([P](C(C)(C)C)([Pd][P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C)C>[CH3:25][C:26]1[CH:27]=[CH:28][C:29]([C:2]2[C:3]3[N:4]([C:15]([C:18]4[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=4)=[N:16][N:17]=3)[CH:5]=[C:6]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH:7]=2)=[N:30][CH:31]=1
1
Br[C:2]1[CH:3]=[C:4]([CH2:19][C:20]([CH3:26])([CH3:25])[CH2:21][C:22]([OH:24])=[O:23])[CH:5]=[CH:6][C:7]=1[O:8][CH2:9][CH2:10][CH2:11][NH:12][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=1.[C:27]1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=C[CH:28]=1.C[Si](C#C)(C)C>CCN(CC)CC.[Cu]I.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1>[C:27]([C:2]1[CH:3]=[C:4]([CH2:19][C:20]([CH3:26])([CH3:25])[CH2:21][C:22]([OH:24])=[O:23])[CH:5]=[CH:6][C:7]=1[O:8][CH2:9][CH2:10][CH2:11][NH:12][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=1)#[CH:28]
2
C(C=C)(=O)Cl.CN1C[C@@H]2N(CC[C@@H]2C1)C1=C(C=C(C(=C1)OC)NC1=NC=CC(=N1)C=1C=NN2C1CCCC2)N>C1CCCO1.CO[H]>CN1C[C@@H]2N(CC[C@@H]2C1)C1=C(C=C(C(=C1)OC)NC1=NC=CC(=N1)C=1C=NN2C1CCCC2)NC(C=C)=O
3
ClC1=C(C(=O)O)C=C(C=C1)S(=O)(=O)N1CCC(CC1)CO>ClS(Cl)=O>ClC1=C(C(=O)O)C=C(C=C1)S(=O)(=O)N1CCC(CC1)CCl
3
[ClH:1].C(N=C=NCCCN(C)C)C.Cl.[CH3:14][O:15][C:16]1[CH:17]=[C:18]2[C:23](=[C:24]3[CH2:28][C:27]([CH3:30])([CH3:29])[O:26][C:25]=13)[C:22]([C:31]1[CH:39]=[CH:38][C:34]([C:35](O)=[O:36])=[CH:33][CH:32]=1)=[N:21][C:20]([CH3:41])([CH3:40])[CH2:19]2.O.O[N:44]1[C:48]2[CH:49]=[CH:50][CH:51]=[CH:52][C:47]=2N=N1.NC1C=CC=CC=1>CN(C)C=O.O>[ClH:1].[C:48]1([NH:44][C:35](=[O:36])[C:34]2[CH:38]=[CH:39][C:31]([C:22]3[C:23]4[C:18](=[CH:17][C:16]([O:15][CH3:14])=[C:25]5[O:26][C:27]([CH3:29])([CH3:30])[CH2:28][C:24]5=4)[CH2:19][C:20]([CH3:41])([CH3:40])[N:21]=3)=[CH:32][CH:33]=2)[CH:49]=[CH:50][CH:51]=[CH:52][CH:47]=1
2
C1(=CC=CC=C1)S(=O)(=O)C(C[C@H](C(C)(O)C)O)[C@H](CCCC(C)(O[Si](C)(C)C)C)[C@H]1CC[C@H]2[C@H](CCC[C@]12C)O[Si](C)(C)C(C)(C)C>CO[H].O.O.C(C(=O)O)(=O)O>C(C)(C)(C)[Si](O[C@@H]1[C@@H]2CC[C@@H]([C@]2(CCC1)C)[C@H](CC[C@H](C(C)(O)C)O)CCCC(C)(O[Si](C)(C)C)C)(C)C
3
FC1=C(C=C(C=C1)[N+](=O)[O-])C=1N=C(SC1)N(C(OC(C)(C)C)=O)C1=CC(=CC=C1)C(F)(F)F>O.C1CCCO1.[Fe].CCO[H].[Cl-].[NH4+]>NC=1C=CC(=C(C1)C=1N=C(SC1)N(C(OC(C)(C)C)=O)C1=CC(=CC=C1)C(F)(F)F)F
3
CI.C(C1=CC=CC=C1)OC(=O)N1CCC2=C(C=3C(C(CC3C=C2)(F)F)O)CC1>>C(C1=CC=CC=C1)OC(=O)N1CCC2=C(C=3C(C(CC3C=C2)(F)F)OC)CC1
5
COC(C)(C)OC.COCC(NC1=CC=CC=C1)=C1C(N(CC1)C(=O)OCC1=CC=CC=C1)=O.COCC(NC1=CC=CC=C1)C1C(N(CC1)C(=O)OCC1=CC=CC=C1)=O>[HH].N1C(=O)NC(=O)NC1=O.C1CC=CCCC=C1.C1CC=CCCC=C1.C(F)(F)(F)S(=O)(=O)[O].[Rh].CC=1C=C(C=C(C1)C)P([C@@H](C)C[C@H](C)P(C1=CC(=CC(=C1)C)C)C1=CC(=CC(=C1)C)C)C1=CC(=CC(=C1)C)C>COC[C@@H]1NC=2C=CC=CC2[C@H]2[C@@H]1CCN2C(=O)OCC2=CC=CC=C2
3
COCCCC(=O)Cl.BrC=1C=CC(=NC1)CN>C(C)(=O)OCC.C([O-])([O-])=O.[Na+].[Na+]>BrC=1C=CC(=NC1)CNC(CCCOC)=O
3
COC=1C=CC(=C(N)C1)C>O.Cl.F[B-](F)(F)F.[H+].N(=O)[O-].[Na+]>FC=1C=C(C=CC1C)OC
3
N1=C(C=CC2=CC=CC=C12)/C=C/C(=O)O>CO[H].[HH].[Pd]>N1=C(C=CC2=CC=CC=C12)CCC(=O)OC
3
[N:1]1(C(OCC2C=CC=CC=2)=O)[C:5](=[O:6])[CH2:4][CH2:3][C@H:2]1[C:7]([NH:9][C@H:10]([C:13]([N:15]1[CH2:22][CH2:21][CH2:20][C@H:16]1[C:17]([NH2:19])=[O:18])=[O:14])[CH2:11][CH3:12])=[O:8].[H][H]>C(O)(=O)C.[Pd]>[NH:1]1[C:5](=[O:6])[CH2:4][CH2:3][C@H:2]1[C:7]([NH:9][C@H:10]([C:13]([N:15]1[CH2:22][CH2:21][CH2:20][C@H:16]1[C:17]([NH2:19])=[O:18])=[O:14])[CH2:11][CH3:12])=[O:8]
1
[B-](F)(F)(F)F.CCOC(=O)C(=NOC(=[N+](C)C)N(C)C)C#N.ClC1=C(C2=NC=CC=C2N1C1=CC=CC=C1)C(=O)O>>C(C)(C)(C)OC(=O)N1CCN(CC1)C(=O)C1=C(N(C=2C1=NC=CC2)C2=CC=CC=C2)Cl
5
BrC=1C=C(CNC(=O)C=2N=CN(C2)C)C=CC1F>C1CCCO1.[H-].[Na+]>BrC=1C=C(CN(C(=O)C=2N=CN(C2)C)CCC)C=CC1F
3
FC1=C(C(=CC(=C1)F)CO)O>O.C1CCCO1.[Na+].[BH4-].CCN(CC)CC.Cl.ClC(=O)OCC>FC1=C(C(=CC(=C1)F)C)O
3
[O:1]1CCCC1.[F:6][C:7]1[C:8]([C:17]([NH2:19])=O)=[N:9][CH:10]=[CH:11][C:12]=1[C:13]([F:16])([F:15])[F:14].[C:20]([N:27]1C=CN=C1)(N1C=CN=C1)=[O:21].N12CCCN=C1CCCCC2>O>[F:6][C:7]1[C:8]([C:17]2[NH:19][O:1][C:20](=[O:21])[N:27]=2)=[N:9][CH:10]=[CH:11][C:12]=1[C:13]([F:16])([F:15])[F:14]
1
CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)O.FC1=CC=C(CN2N=C(C=C2)[C@H]2NC[C@@H]3N(C2)CCC3)C=C1>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>C(C)(C)(C)OC(N[C@H](C(=O)N1C[C@@H]2N(C[C@H]1C1=NN(C=C1)CC1=CC=C(C=C1)F)CCC2)C2CCCCC2)=O
3
C(C)(=O)Cl.FC(C=1C=CC(=NC1)OC1=CC=C(OC(C(CC(=O)OC)O)C)C=C1)(F)F>ClCCl.CCN(CC)CC>FC(C=1C=CC(=NC1)OC1=CC=C(OC(C(CC(=O)OC)OC(C)=O)C)C=C1)(F)F
3
[C:1]([C:3]1[CH:25]=[C:24]([C:26]2[N:31]=[C:30]([NH:32][C:33]3[CH:38]=[CH:37][C:36]([N:39]4[CH2:44][CH2:43][N:42]([CH:45]5[CH2:48][O:47][CH2:46]5)[CH2:41][CH2:40]4)=[CH:35][CH:34]=3)[N:29]=[CH:28][N:27]=2)[CH:23]=[CH:22][C:4]=1[O:5][C@@H:6]1[C@H:11]([F:12])[CH2:10][N:9]([C:13](OC(C)(C)C)=[O:14])[CH2:8][C:7]1([CH3:21])[CH3:20])#[N:2].[O:49]=[C:50]1[NH:54][C@H:53](C(O)=O)[CH2:52][CH2:51]1>>[F:12][C@@H:11]1[CH2:10][N:9]([C:13]([C@@H:53]2[CH2:52][CH2:51][C:50](=[O:49])[NH:54]2)=[O:14])[CH2:8][C:7]([CH3:20])([CH3:21])[C@@H:6]1[O:5][C:4]1[CH:22]=[CH:23][C:24]([C:26]2[N:31]=[C:30]([NH:32][C:33]3[CH:34]=[CH:35][C:36]([N:39]4[CH2:40][CH2:41][N:42]([CH:45]5[CH2:46][O:47][CH2:48]5)[CH2:43][CH2:44]4)=[CH:37][CH:38]=3)[N:29]=[CH:28][N:27]=2)=[CH:25][C:3]=1[C:1]#[N:2]
2
ClC(=O)OCC1=CC=CC=C1.NC(C(=O)OCC)C(=O)OCC>O.Cl.C([O-])([O-])=O.[Na+].[Na+]>C(C1=CC=CC=C1)OC(=O)NC(C(=O)OCC)C(=O)OCC
3
C([Mg]CCCC)CCC.C([Li])CCC.Br[C:16]1[CH:17]=[C:18]2[C:22](=[CH:23][CH:24]=1)[N:21]([CH3:25])[CH:20]=[C:19]2[CH2:26][CH2:27][CH2:28][O:29][CH3:30].CN1CCOCC1.[CH:38]([CH:40]([CH:56]([CH3:58])[CH3:57])[CH2:41][CH:42]1[CH2:46][O:45][C:44]([CH3:48])([CH3:47])[N:43]1[C:49]([O:51][C:52]([CH3:55])([CH3:54])[CH3:53])=[O:50])=[O:39]>O1CCCC1>[OH:39][CH:38]([C:16]1[CH:17]=[C:18]2[C:22](=[CH:23][CH:24]=1)[N:21]([CH3:25])[CH:20]=[C:19]2[CH2:26][CH2:27][CH2:28][O:29][CH3:30])[CH:40]([CH:56]([CH3:58])[CH3:57])[CH2:41][CH:42]1[CH2:46][O:45][C:44]([CH3:48])([CH3:47])[N:43]1[C:49]([O:51][C:52]([CH3:55])([CH3:54])[CH3:53])=[O:50]
1
C1(CC1)CN1N=CC(=C1)C(=O)O>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl.C(C)(C)N>C1(CC1)CN1N=CC(=C1)C(=O)NC(C)C
3
NC1=CC=CC=C1.C1(C=CC(C2=CC=CC=C12)=O)=O>C(C)(=O)O>N(C1=CC=CC=C1)C=1C(C2=CC=CC=C2C(C1)=O)=O
3
Cl[C:2]1[C:3]2[C:4](=[CH:19][N:20](CC3C=CC(OC)=CC=3)[N:21]=2)[N:5]=[C:6]([C:8]2[CH:9]=[C:10]([NH:14][S:15]([CH3:18])(=[O:17])=[O:16])[CH:11]=[CH:12][CH:13]=2)[N:7]=1.[CH3:31][O:32][C:33]1[CH:34]=[C:35]([CH:37]=[CH:38][C:39]=1[O:40][CH3:41])[NH2:36].Cl>CO.O1CCOCC1>[CH3:31][O:32][C:33]1[CH:34]=[C:35]([NH:36][C:2]2[C:3]3[NH:21][N:20]=[CH:19][C:4]=3[N:5]=[C:6]([C:8]3[CH:9]=[C:10]([NH:14][S:15]([CH3:18])(=[O:16])=[O:17])[CH:11]=[CH:12][CH:13]=3)[N:7]=2)[CH:37]=[CH:38][C:39]=1[O:40][CH3:41]
2
C(=O)(O)O.[NH2:5][C:6]([NH2:8])=[NH:7].[CH2:9]([CH:16]([CH2:22][S:23](Cl)(=[O:25])=[O:24])[C:17]([O:19][CH2:20][CH3:21])=[O:18])[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1>C(Cl)Cl.CN(C)C=O>[NH2:7][C:6]([NH2:8])=[NH:5].[S:23](=[CH:22][CH:16]([CH2:9][C:10]1[CH:11]=[CH:12][CH:13]=[CH:14][CH:15]=1)[C:17]([O:19][CH2:20][CH3:21])=[O:18])(=[O:25])=[O:24]
1
[CH:1]1([CH:7]([N:19]2[C:23]3[CH:24]=[C:25]([F:29])[C:26]([F:28])=[CH:27][C:22]=3[N:21]=[C:20]2[C:30]2[C:31]([O:38][CH3:39])=[N:32][C:33]([O:36][CH3:37])=[CH:34][CH:35]=2)[CH2:8]OC2C=CC(C(O)=O)=CN=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[CH3:40][O:41][C:42](=[O:52])[C:43]1[CH:48]=[C:47]([CH3:49])[C:46]([OH:50])=[C:45]([CH3:51])[CH:44]=1>>[CH3:40][O:41][C:42](=[O:52])[C:43]1[CH:48]=[C:47]([CH3:49])[C:46]([O:50][CH2:8][CH:7]([CH:1]2[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]2)[N:19]2[C:23]3[CH:24]=[C:25]([F:29])[C:26]([F:28])=[CH:27][C:22]=3[N:21]=[C:20]2[C:30]2[C:31]([O:38][CH3:39])=[N:32][C:33]([O:36][CH3:37])=[CH:34][CH:35]=2)=[C:45]([CH3:51])[CH:44]=1
1
ClC1=CC=C(C=C1)B(O)O.BrC=1C(=NC(=NC1)NCCN1C(NCC1)=O)C=1SC=CC1>>ClC1=CC=C(C=C1)C=1C(=NC(=NC1)NCCN1C(NCC1)=O)C=1SC=CC1
5
NC1=NC=CC(=N1)C=1N=CN(C1)CCCCN1C(C2=CC=CC=C2C1=O)=O>>NCCCCN1C=NC(=C1)C1=NC(=NC=C1)N
5
[S:1]1[C:9]2[CH:8]=[CH:7][N:6]=[CH:5][C:4]=2[CH:3]=[CH:2]1.C([Li])CCC.CN(OC)[C:17](=[O:19])[CH3:18]>O1CCCC1>[S:1]1[C:9]2[CH:8]=[CH:7][N:6]=[CH:5][C:4]=2[CH:3]=[C:2]1[C:17](=[O:19])[CH3:18]
1
C(C)(C)(C)OC(=O)N[C@H](C(=O)O)CC(C)C.N[C@@H]1[C@H]([C@H](N(C1)C(=O)OC(C)(C)C)C(=O)OC)CCCB1O[C@]2(C(O1)C[C@@H]1C([C@H]2C1)(C)C)C>N(C)(C)C=O.CCN(CC)CC.C(O)([O-])=O.[Na+].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C)(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]([C@H](N(C1)C(=O)OC(C)(C)C)C(=O)OC)CCCB1O[C@]2(C(O1)C[C@@H]1C([C@H]2C1)(C)C)C)CC(C)C
3
[CH:1]([N:14]1[C:18]2[CH:19]=[C:20]([C:23]3[CH:28]=[C:27]([CH3:29])[CH:26]=[CH:25][C:24]=3[O:30]CC3C=CC=CC=3)[CH:21]=[CH:22][C:17]=2[O:16][C:15]1=[O:38])([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1>[Pd].C(OCC)(=O)C.CO>[CH:1]([N:14]1[C:18]2[CH:19]=[C:20]([C:23]3[CH:28]=[C:27]([CH3:29])[CH:26]=[CH:25][C:24]=3[OH:30])[CH:21]=[CH:22][C:17]=2[O:16][C:15]1=[O:38])([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
1
COC1=C(C=CC=C1)N1CCC(CC1)(C1=CC(=CC=C1)OC)C(=O)NS(OC1=C(C=CC=C1C(C)C)C(C)C)(=O)=O>>Cl.COC1=C(C=CC=C1)N1CCC(CC1)(C1=CC(=CC=C1)OC)C(=O)NS(OC1=C(C=CC=C1C(C)C)C(C)C)(=O)=O
5
Cl[C:2]1[CH:3]=[CH:4][C:5]([N+:14]([O-:16])=[O:15])=[C:6]([N:8]2[CH2:13][CH2:12][CH2:11][CH2:10][CH2:9]2)[CH:7]=1.[NH:17]1[CH2:22][CH2:21][O:20][CH2:19][CH2:18]1>O>[N+:14]([C:5]1[CH:4]=[CH:3][C:2]([N:17]2[CH2:22][CH2:21][O:20][CH2:19][CH2:18]2)=[CH:7][C:6]=1[N:8]1[CH2:13][CH2:12][CH2:11][CH2:10][CH2:9]1)([O-:16])=[O:15]
1
CN1CCNCC1.BrCC1=NC(=CC=C1)CBr>CC#N.C([O-])([O-])=O.[K+].[K+]>CN1CCN(CC1)CC1=NC(=CC=C1)CN1CCN(CC1)C
3
[N+](=O)([O-])C=1C=C(N)C=CC1F>CC#N.N1CCCCC1>[N+](=O)([O-])C=1C=C(C=CC1N1CCCCC1)N
3
F[C:2]1[CH:9]=[CH:8][C:7]([F:10])=[CH:6][C:3]=1[C:4]#[N:5].[CH3:11][S:12]([NH2:15])(=[O:14])=[O:13].C(=O)([O-])[O-].[K+].[K+].Cl>CS(C)=O>[C:4]([C:3]1[CH:6]=[C:7]([F:10])[CH:8]=[CH:9][C:2]=1[NH:15][S:12]([CH3:11])(=[O:14])=[O:13])#[N:5]
1
O=C1C2=C(N=C(N1)C(=O)NCC1=CC(=CC=C1)OCCOC1=NNC=N1)C=NN2CCOC2=CC=C(C(=O)OC)C=C2>>O=C1C2=C(N=C(N1)C(=O)NCC1=CC(=CC=C1)OCCOC1=NNC=N1)C=NN2CCOC2=CC=C(C(=O)O)C=C2
5
[Cl:1][C:2]1[C:7]([C:8]#[N:9])=[C:6]([Cl:10])[C:5]([Cl:11])=[C:4](Cl)[C:3]=1[Cl:13].NCCNC(=O)[CH:19]([C:21]1[CH:26]=[C:25]([C:27]([CH3:30])([CH3:29])[CH3:28])[C:24]([OH:31])=[C:23]([C:32]([CH3:35])([CH3:34])[CH3:33])[CH:22]=1)[CH3:20].C([N:39](CC)CC)C.O.C[N:46]1[CH2:50][CH2:49]C[C:47]1=[O:51]>C1(C)C=CC=CC=1>[C:32]([C:23]1[CH:22]=[C:21]([CH2:19][CH2:20][C:47]([NH:46][CH2:50][CH2:49][NH:39][C:4]2[C:5]([Cl:11])=[C:6]([Cl:10])[C:7]([C:8]#[N:9])=[C:2]([Cl:1])[C:3]=2[Cl:13])=[O:51])[CH:26]=[C:25]([C:27]([CH3:30])([CH3:28])[CH3:29])[C:24]=1[OH:31])([CH3:35])([CH3:34])[CH3:33]
1