Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
C[Si](C)(C)C#C.CCOCC.CCCCCC.O(C1=CC=CC=C1)CC=O>C1CCCO1.Cl.C(CCC)[Li].CCCCCC>O(C1=CC=CC=C1)CC(C#C[Si](C)(C)C)O
3
CC(CC(C)=O)=O.IC=1C=C(N)C=C(C1)C(F)(F)F>>IC=1C=C(C=C(C1)C(F)(F)F)NC(=CC(C)=O)C
5
FC=1C=C(C=CC1)B(O)O.ClC1=NC(=CC(=N1)C(=O)N[C@H](CO)C)Cl>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.Cl[Pd]Cl.C(C)(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C.C(C)(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C>ClC1=NC(=CC(=N1)C(=O)N[C@H](CO)C)C1=CC(=CC=C1)F
3
C([O:3][C:4]([CH:6]([NH:15][C@H:16]([C:18]([N:20]1[CH2:27][CH2:26][CH2:25][CH2:24][CH2:23][CH2:22][C@H:21]1[C:28]([OH:30])=[O:29])=[O:19])[CH3:17])[CH2:7][CH2:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)=[O:5])C.[OH-].[Na+]>C(O)C>[C:4]([CH:6]([NH:15][C@H:16]([C:18]([N:20]1[CH2:27][CH2:26][CH2:25][CH2:24][CH2:23][CH...
1
CC=1C=C(C=CC1CC1=CC=2N(C=C1)N=CN2)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>CC=1C=C(N)C=CC1CC1=CC=2N(C=C1)N=CN2
3
C([O:3][C:4]([C:6]1[CH:10]=[C:9]([C:11]2[CH:16]=[CH:15][C:14]([OH:17])=[CH:13][CH:12]=2)[NH:8][N:7]=1)=[O:5])C.[OH-].[Na+].Cl>O1CCOCC1.O>[OH:17][C:14]1[CH:13]=[CH:12][C:11]([C:9]2[NH:8][N:7]=[C:6]([C:4]([OH:5])=[O:3])[CH:10]=2)=[CH:16][CH:15]=1
1
BrC1=NC=CC=C1.BrC1=CC=C(C=C1)B(O)O>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>BrC1=CC=C(C=C1)C1=NC=CC=C1
3
COCCBr.ClC1=C(C=C(C=C1)[N+](=O)[O-])O>N(C)(C)C=O.ClCCl.C([O-])([O-])=O.[K+].[K+]>ClC1=C(C=C(C=C1)[N+](=O)[O-])OCCOC
3
[N+](=O)([O-])C=1C=CC(=NC1)NC(=O)N1CCCC1>>NC=1C=CC(=NC1)NC(=O)N1CCCC1
5
C([O:3][C:4]([C:6]1[C:7]([NH:18][CH2:19][C:20]([N:22]([CH2:26][CH2:27][CH3:28])[CH2:23][CH2:24][CH3:25])=[O:21])=[N:8][C:9]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)=[N:10][CH:11]=1)=O)C.[BH4-].[Na+].[Cl-].[Li+].Cl>C(O)C.O1CCCC1>[OH:3][CH2:4][C:6]1[C:7]([NH:18][CH2:19][C:20]([N:22]([CH2:26][CH2:27][CH3:28])[CH2:2...
1
[NH2:1][C:2]1[CH:10]=[CH:9][C:5]2[NH:6][CH:7]=[N:8][C:4]=2[CH:3]=1.[N:11]([C:14]1[CH:22]=[CH:21][C:17]2=[N:18][S:19][N:20]=[C:16]2[CH:15]=1)=[C:12]=[S:13]>>[N:18]1[S:19][N:20]=[C:16]2[CH:15]=[C:14]([NH:11][C:12]([NH:1][C:2]3[CH:10]=[CH:9][C:5]4[NH:6][CH:7]=[N:8][C:4]=4[CH:3]=3)=[S:13])[CH:22]=[CH:21][C:17]=12
2
ClC(=O)OC.NCC[C@@]1(CCN(C(O1)=O)[C@@H](C)C1=CC=C(C=C1)C1=C(C=C(C=C1)F)F)C1=CC=C(C=C1)F>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC>FC1=C(C=CC(=C1)F)C1=CC=C(C=C1)[C@H](C)N1C(O[C@](CC1)(C1=CC=C(C=C1)F)CCNC(OC)=O)=O
3
FC1=CC=C(C=C1)N1C(N(C=C(C1=O)C(=O)Cl)C(C)C)=O.FC=1C=C(N)C=CC1OC1=CC=NC2=CC(=C3C(=C12)OCCO3)OCC>N(C)(C)C=O.O.ClCCl.CCN(CC)CC>FC=1C=C(C=CC1OC1=CC=NC2=CC(=C3C(=C12)OCCO3)OCC)NC(=O)C=3C(N(C(N(C3)C(C)C)=O)C3=CC=C(C=C3)F)=O
3
NC1=NC(=CC(=N1)NC1=CC=C(C=C1)CO)Cl.ClC=1C=CC(=C(C1)B(O)O)OCC>O.c3c(P(c1ccccc1)c2ccccc2)cccc3.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C([O-])([O-])=O.[Na+].[Na+].COCCOC>NC1=NC(=CC(=N1)NC1=CC=C(C=C1)CO)C1=C(C=CC(=C1)Cl)OCC
3
ClC1=CC=C(S1)C(=O)NCC=1N=CN(C1)C1=CC=C(C=C1)I.C(C)(=O)NC1=NC(NC=C1)=O>[Cu]I.C([O-])([O-])=O.[K+].[K+].CS(=O)C.OC=1C=CC=C2C=CC=NC12>C(C)(=O)NC1=NC(N(C=C1)C1=CC=C(C=C1)N1C=NC(=C1)CNC(=O)C=1SC(=CC1)Cl)=O
3
C(C)(C)(C)OC(=O)N[C@H]1C[C@H](CC1)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>C(C)(C)(C)OC(N[C@@H]1C[C@@H](CC1)C(NCC1=NC=CC=C1)=O)=O
3
C(C)(=O)OC1(CCN(CC1)C(=O)OC(C)(C)C)\C=C\CC(F)(F)F>CO[H].[OH-].[Na+]>OC1(CCN(CC1)C(=O)OC(C)(C)C)\C=C\CC(F)(F)F
3
[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]2[C:13]([C:14]([O-:16])=[O:15])=[C:12]([CH3:17])[NH:11][C:10]([CH3:18])=[C:9]2[C:19]([O:21][CH2:22][CH2:23][C:24]#[N:25])=[O:20])[CH:5]=[CH:6][CH:7]=1.[C:26]1([CH2:32][CH2:33][CH2:34][CH2:35]O)[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1.Cl.CN(C)CCCN=C=NCC.O>CN(C)C1C=CN=CC=1.ClCCl>[Cl:1][C:2]1...
1
BrC1=CC(=CC=C1)Cl.CC1=C(C(=CC(=C1)B1OC(C(O1)(C)C)(C)C)C)C1=C(C(CC1=O)CCNC(=O)C1=NC=CC=C1)OC>>ClC=1C=C(C=CC1)C1=CC(=C(C(=C1)C)C1=C(C(CC1=O)CCNC(=O)C1=NC=CC=C1)OC)C
5
C(C)(C)(C)OC(=O)N1C[C@@H]2COC3=C(C(N2CC1)=O)C(=NC(=C3Cl)Cl)F.OC1C(NCC1)(C)C>CC#N.C([O-])([O-])=O.[K+].[K+]>C(C)(C)(C)OC(=O)N1C[C@@H]2COC3=C(C(N2CC1)=O)C(=NC(=C3Cl)Cl)N3C(C(CC3)O)(C)C
3
CC(C)[O-].[Al+3].CC(C)[O-].CC(C)[O-].[CH3:14][O:15][C:16]1[CH:25]=[C:24]2[C:19]([C:20](=O)[CH2:21][CH2:22][CH:23]2[CH2:26][C:27]#[N:28])=[CH:18][CH:17]=1>C(O)(C)C>[CH3:14][O:15][C:16]1[CH:25]=[C:24]2[C:19]([CH:20]=[CH:21][CH2:22][CH:23]2[CH2:26][C:27]#[N:28])=[CH:18][CH:17]=1
1
BrCC1CC1.OC1=CC=C2C=C(NC2=C1)C(=O)OC>N(C)(C)C=O.C1CCCO1.[OH-].[Na+]>COC(=O)C=1NC2=CC(=CC=C2C1)OCC1CC1
3
O=C(C(=O)O)C1=CC=CC=C1.FC(C1=CC=C(C=C1)CCNC=1C=NC(=CC1)C(F)(F)F)(F)F>>O=C(C(=O)N(C=1C=NC(=CC1)C(F)(F)F)CCC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1
5
C1C=C2C=CC(O)=C(C3C4C(=CC=CC=4)C=CC=3O)C2=CC=1.[CH:23]1([C:26]2[C:35](/[CH:36]=[CH:37]/[CH:38]=[O:39])=[C:34]([C:40]3[CH:45]=[CH:44][C:43]([F:46])=[CH:42][CH:41]=3)[C:33]3[C:28](=[CH:29][CH:30]=[CH:31][CH:32]=3)[N:27]=2)[CH2:25][CH2:24]1.[CH2:47]([O:49][C:50]([O:59][Si](C)(C)C)=[CH:51][C:52]([O:54][Si](C)(C)C)=[CH2:53]...
1
N(=[N+]=[N-])[C@H]1C(O)O[C@@H]([C@H]([C@@H]1OCC1=CC=C(C=C1)OC)OCC1=CC=C(C=C1)OC)COCC1=CC=C(C=C1)OC>N(C)(C)C=O.CCN(CC)CC.C([C@H]([C@@H](CS)O)O)S>N[C@H]1C(O)O[C@@H]([C@H]([C@@H]1OCC1=CC=C(C=C1)OC)OCC1=CC=C(C=C1)OC)COCC1=CC=C(C=C1)OC
3
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:31]#[N:32])=[C:6]([C:8]2[C:13]([O:14][CH3:15])=[CH:12][N:11]([C:16](=[CH:24][CH:25]3[CH2:27][C:26]3([F:29])[F:28])[C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[C:10](=[O:30])[CH:9]=2)[CH:7]=1>[Cl-].[NH4+]>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:31]#[N:32])=[C:6]([C:8]2[C:13]([O:14...
1
C[Si]([N-][Si](C)(C)C)(C)C.[Na+].O1CCCC1.Cl[C:17]1[C:26]2[C:21](=[CH:22][C:23]([O:29][CH2:30][CH2:31][CH2:32][N:33]3[CH2:38][CH2:37][N:36]([CH3:39])[CH2:35][CH2:34]3)=[C:24]([O:27][CH3:28])[CH:25]=2)[N:20]=[CH:19][N:18]=1.[Cl:40][C:41]1[CH:49]=[C:48]([C:50]#[C:51][CH2:52][O:53][CH3:54])[C:44]2[O:45][CH2:46][O:47][C:43]...
1
CN(C/C=C/C(=O)OC)C>>Cl.CN(C/C=C/C(=O)O)C
5
Br[C:2]1[CH:8]=[CH:7][CH:6]=[CH:5][C:3]=1[NH2:4].[C:9]1(=[O:15])[CH2:14][CH2:13][CH2:12][CH:11]=[CH:10]1.C1(C)C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C.C(N(CC)CC)C>CC#N.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[NH2:4][C:3]1[CH:5]=[CH:6][CH:7]=[CH:8][C:2]=1[C:11]1[CH2:12][CH2:13][CH2:14][C:9](=[O:15])[CH:10]=1
2
[CH3:1][N:2]([C@@H:15]1[CH2:19][CH2:18][NH:17][CH2:16]1)[C:3](=[O:14])[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[C:10]([F:13])([F:12])[F:11].Cl[C:21]1[C:22]2[CH:29]=[CH:28][NH:27][C:23]=2[N:24]=[CH:25][N:26]=1.CCN(C(C)C)C(C)C>CCO>[N:24]1[C:23]2[NH:27][CH:28]=[CH:29][C:22]=2[C:21]([N:17]2[CH2:18][CH2:19][C@@H:15]([N:2]([CH...
1
NC=1C(OC2=CC=CC=C2C1N)=O.FC1=CC=C2C=CN=C(C2=C1)N1CCN(CC1)CCC(=O)O>C(C)OCC.CO[H].ClCCl.CCN(CC)CC.Cl.C([O-])([O-])=O.[Na+].[Na+]>FC1=CC=C2C=CN=C(C2=C1)N1CCN(CC1)CCC=1NC2=C(N1)C(OC=1C=CC=CC12)=O
3
C(C)(C)(C)OC(NC[C@H](CSC1=C(C(=C(C=C1)I)C=1N=NN(N1)CC1=CC=C(C=C1)OC)S(N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC)(=O)=O)O[Si](C)(C)C(C)(C)C)=O>O.C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C)(C)(C)OC(NC[C@H](CSC1=C(C(=C(C=C1)I)C=1N=NN(N1)CC1=CC=C(C=C1)OC)S(N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC)(=O)=O)O)=O
3
Cl.[NH2:2][CH:3]([C:8]1[CH:13]=[CH:12][C:11]([O:14][CH3:15])=[C:10]([O:16][CH:17]2[CH2:21][CH2:20][CH2:19][CH2:18]2)[CH:9]=1)[CH2:4][CH:5]([OH:7])[CH3:6].[C:22]([NH:25][C:26]1[CH:36]=[CH:35][CH:34]=[C:28]2[C:29]([O:31][C:32](=O)[C:27]=12)=[O:30])(=[O:24])[CH3:23].C(N(CC)CC)C.O>CN(C=O)C>[CH:17]1([O:16][C:10]2[CH:9]=[C:8...
1
Cl.[Cl:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2([C:15]([OH:17])=[O:16])[CH2:14][CH2:13][NH:12][CH2:11][CH2:10]2)=[CH:5][CH:4]=1.[C:18]([O-:21])([O-])=[O:19].[K+].[K+].Cl>O>[C:6]([O:21][C:18]([N:12]1[CH2:11][CH2:10][C:9]([C:6]2[CH:7]=[CH:8][C:3]([Cl:2])=[CH:4][CH:5]=2)([C:15]([OH:17])=[O:16])[CH2:14][CH2:13]1)=[O:19])([CH3:9])...
1
C(C)OC(C#CC(C)(O[Si](C)(C)C)C)=O>C(C)OCC.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C)OC(C#CC(C)(C)O)=O
3
[CH2:1]1[O:11][C:10]2[CH:9]=[CH:8][C:5]([CH2:6]Br)=[CH:4][C:3]=2[O:2]1.[NH:12]1[CH2:17][CH2:16][CH:15]([C:18]2[CH:23]=[CH:22][C:21]([C:24]3[N:29]=[C:28]([NH2:30])[CH:27]=[CH:26][CH:25]=3)=[CH:20][CH:19]=2)[CH2:14][CH2:13]1>>[CH2:1]1[O:11][C:10]2[CH:9]=[CH:8][C:5]([CH2:6][N:12]3[CH2:17][CH2:16][CH:15]([C:18]4[CH:19]=[CH...
1
OC=1C(=NC=CC1OC)C(=O)O.N[C@@H]1C(O[C@H]([C@@H]([C@H](COC1)CC1=CC=C(C=C1)C)OCC(C)C)C)=O>>OC=1C(=NC=CC1OC)C(=O)N[C@@H]1C(O[C@H]([C@@H]([C@H](COC1)CC1=CC=C(C=C1)C)OCC(C)C)C)=O
5
C(C1=CC=CC=C1)(=O)Cl.COC=1C=C(CN2CCNCC2)C=C(C1OC)OC>O.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC>Cl.C(C1=CC=CC=C1)(=O)N1CCN(CC1)CC1=CC(=C(C(=C1)OC)OC)OC
3
BrC1C=C[C:5]([N:8]=C=S)=CC=1.[NH2:11][C:12]1[CH:17]=[C:16]([CH3:18])[CH:15]=[C:14]([CH3:19])[C:13]=1[OH:20].CCN=C=NCCCN(C)C>C1COCC1>[CH3:18][C:16]1[CH:15]=[C:14]([CH3:19])[C:13]2[O:20][C:5]([NH2:8])=[N:11][C:12]=2[CH:17]=1
1
C(C)I.BrC=1C(NC=CC1)=O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>BrC=1C(N(C=CC1)CC)=O
3
N1=C(C=CC=C1)C=O.N1C(CC2=CC=CC=C12)=O>CO[H].C1CCNC1>N1=C(C=CC=C1)C=C1C(NC2=CC=CC=C12)=O
3
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:16]3[C:11](=[CH:12][C:13]([O:17][C@@H:18]([C:22]4[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=4)[C@H:19]([NH2:21])[CH3:20])=[CH:14][CH:15]=3)[CH:10]=[N:9]2)=[CH:4][CH:3]=1.[CH3:28][C:29]([CH3:34])([CH3:33])[C:30](Cl)=[O:31]>>[F:1][C:2]1[CH:3]=[CH:4][C:5]([N:8]2[C:16]3[C:11](=[CH:12][C:13...
1
[C:1]([N:4]1[CH2:9][CH2:8][NH:7][CH2:6][CH2:5]1)(=[O:3])[CH3:2].C(=O)([O-])[O-].[K+].[K+].Br[CH2:17][CH2:18][CH2:19][OH:20]>C(#N)C>[C:1]([N:4]1[CH2:9][CH2:8][N:7]([CH2:17][CH2:18][CH2:19][OH:20])[CH2:6][CH2:5]1)(=[O:3])[CH3:2]
1
[Cl:1][C:2]1[CH:3]=[N:4][C:5]([O:11][CH2:12][CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=2[CH3:20])=[C:6]([CH:10]=1)[C:7]([OH:9])=O.Cl.[NH2:22][C@H:23]([C:25]1[CH:34]=[CH:33][C:28]([C:29]([O:31][CH3:32])=[O:30])=[CH:27][CH:26]=1)[CH3:24]>>[Cl:1][C:2]1[CH:10]=[C:6]([C:7]([NH:22][C@H:23]([C:25]2[CH:34]=[CH:33][C:2...
2
C(COC)OC.Br[C:8]1[CH:9]=[N:10][C:11]([C:14]([N:16]2[CH2:21][CH2:20][N:19]([S:22]([C:25]3[NH:26][C:27]4[C:32]([CH:33]=3)=[CH:31][C:30]([Cl:34])=[CH:29][CH:28]=4)(=[O:24])=[O:23])[CH2:18][CH2:17]2)=[O:15])=[N:12][CH:13]=1.[N:35]1[CH:40]=[CH:39][C:38](OB(O)O)=[CH:37][CH:36]=1.[F-].[Cs+]>[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C...
1
CC[Mg+].[Br-].C(C(C)C)C1=CCC(C(C1)C)C=O>C(C)OCC>C(C(C)C)C1=CCC(C(C1)C)C(CC)O
3
O[C@H]1C[C@@]2([C@](CC[C@H]2[C@@H]2C[C@@H](C3=CC(C=C[C@@]3([C@@H]12)C)=O)C)(C(CO)=O)O)C>[Cl-].C1(=CC=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1(=CC=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1(=CC=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.[Rh+].CCO[H].[HH].C(C)(=O)OCC>O[C@H]1C[C@@]2([C@](CC[C@H]2[C@@H]2C[C@@H](C3=CC(CC[C@@]3([C@@H]12)C)=O)C)(C(CO...
3
CNCCO.BrC1=C(C(=C2C(NC=NC2=C1)=O)F)Cl>C1CCCO1.Cl.[H-].[Na+]>BrC1=C(C(=C2C(NC=NC2=C1)=O)OCCNC)Cl
3
[Cl:1][C:2]1[S:6][C:5]([S:7]([NH:10][C:11]([NH:13][C:14]2[CH:19]=[CH:18][C:17]([N:20]3[CH2:29][CH2:28][C:27]4[C:22](=[CH:23][C:24]([F:32])=[C:25]([NH:30][CH3:31])[CH:26]=4)[C:21]3=[O:33])=[CH:16][CH:15]=2)=[O:12])(=[O:9])=[O:8])=[CH:4][CH:3]=1.[B-](F)(F)(F)[F:35].[B-](F)(F)(F)F.C1[N+]2(CCl)CC[N+](F)(CC2)C1>CN(C=O)C>[Cl...
1
[H-].[Na+].[NH2:3][C:4]1[S:5][C:6]([S:9][CH2:10][CH2:11][N:12]([CH2:15][CH3:16])[CH2:13][CH3:14])=[N:7][N:8]=1.[C:17]([C:21]1[CH:22]=[C:23]([CH:27]=[C:28]([C:30]([CH3:33])([CH3:32])[CH3:31])[CH:29]=1)[C:24](O)=[O:25])([CH3:20])([CH3:19])[CH3:18].C(N1C=CN=C1)(N1C=CN=C1)=O>O1CCCC1>[C:30]([C:28]1[CH:27]=[C:23]([CH:22]=[C:...
1
C(#N)CC(=O)OCC.BrC1=CC=C(C=O)C=C1>C1(=CC=CC=C1)C.N1CCCCC1>C(C)OC(C(=CC1=CC=C(C=C1)Br)C#N)=O
3
[Br:1][C:2]1[C:3]([CH3:13])=[C:4]([CH:9]=[C:10]([F:12])[CH:11]=1)[C:5]([O:7][CH3:8])=[O:6].C1C(=O)N([Br:21])C(=O)C1.C(OOC(=O)C1C=CC=CC=1)(=O)C1C=CC=CC=1>C(Cl)(Cl)(Cl)Cl>[Br:1][C:2]1[C:3]([CH2:13][Br:21])=[C:4]([CH:9]=[C:10]([F:12])[CH:11]=1)[C:5]([O:7][CH3:8])=[O:6]
1
[C:1]12([C:11]3[CH:30]=[CH:29][C:14]([O:15][CH2:16][C:17]4[NH:18][C:19]5[CH:25]=[C:24]([C:26](O)=[O:27])[CH:23]=[CH:22][C:20]=5[N:21]=4)=[CH:13][CH:12]=3)[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.[Cl-].[NH4+].C(Cl)CCl.C1C=CC2N(O)N=[N:43]C=2C=1.CCN(C(C)C)C(C)C>CN(CC1C=C(CN(C)C)C(O)=C(CN(C)C)C...
1
CN1C(C(CCC1=O)N1C(C2=CC=CC(=C2C1=O)NCCCOC1CCN(CC1)C(=O)OC(C)(C)C)=O)=O>ClCCl.Cl.O1CCOCC1>CN1C(C(CCC1=O)N1C(C2=CC=CC(=C2C1=O)NCCCOC1CCNCC1)=O)=O
3
OC1(CCOCC1)C1=CC=C(C#N)C=C1>>O1CCC(=CC1)C1=CC=C(C#N)C=C1
5
[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.[Cl-].OCC[N+]1(CCCC1)C>>FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.OCC[N+](CCC)(C)C
5
NC=1C=CC=C2CCC(CC12)O.O1COC2=C1C=CC(=C2)NC(OC2=CC=CC=C2)=O>>O1COC2=C1C=CC(=C2)NC(=O)NC2=CC=CC=1CCC(CC21)O
5
[CH3:1][N:2]=[C:3]=[O:4].[NH2:5][CH2:6][C:7]1[N:8]([CH2:20][CH2:21][CH2:22][CH2:23][NH:24][C:25](=[O:31])[O:26][C:27]([CH3:30])([CH3:29])[CH3:28])[C:9]2[C:18]3[N:17]=[CH:16][CH:15]=[CH:14][C:13]=3[N:12]=[CH:11][C:10]=2[N:19]=1>N1C=CC=CC=1>[CH3:1][NH:2][C:3]([NH:5][CH2:6][C:7]1[N:8]([CH2:20][CH2:21][CH2:22][CH2:23][NH:2...
2
[CH3:1][C@H:2]1[O:7][CH2:6][C@@H:5]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[NH:4][C:3]1=O.[H-].[Al+3].[Li+].[H-].[H-].[H-]>O1CCCC1>[CH3:1][C@H:2]1[O:7][CH2:6][C@@H:5]([C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=2)[NH:4][CH2:3]1
2
C(C1=CC=CC=C1)N.C(=O)(O)COCC=1OC(=C(N1)C)CNC(=O)C1=NNC(=C1)NC(C1=C(C=C(C(=C1)F)F)Cl)=O>>C(C1=CC=CC=C1)NC(=O)C(C=1OC(=C(N1)C)CNC(=O)C1=NNC(=C1)NC(C1=C(C=C(C(=C1)F)F)Cl)=O)OC
5
FC=1C=C(C=C(C1CCC1=CC=C(C=C1)C(=O)OC)F)NC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=2C=C(C=CC2)CN2CC1CCC(C2)N1C(=O)OC(C)(C)C>ClCCl.Cl.O1CCOCC1>Cl.Cl.C12CN(CC(CC1)N2)CC=2C=C(C(=O)NC=1SC3=C(C1C(=O)NC1=CC(=C(C(=C1)F)CCC1=CC=C(C(=O)OC)C=C1)F)CCCC3)C=CC2
3
C(C)OC(=O)OC1=C(C(=O)O)C=C(C=C1)C(CCCCCCC)=O>C1(=CC=CC=C1)C.ClS(Cl)=O.c1ccncc1>C(C)OC(=O)OC1=C(C(=O)Cl)C=C(C=C1)C(CCCCCCC)=O
3
[Mg].ClP(C1CCCCC1)C1CCCCC1.BrC(=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1>>C1(=CC=CC=C1)C(=C(C1=CC=CC=C1)C1=CC=CC=C1)P(C1CCCCC1)C1CCCCC1
5
[I:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[C:4]([CH2:9][CH2:10][CH3:11])[CH:3]=1.IC1C=[CH:17][C:16]([N:19]=[C:20]=[S:21])=[C:15]([CH2:22][CH2:23][CH3:24])C=1.[OH:25]CCN.O=S(Cl)Cl>>[OH:25][CH2:7][C:5]1([NH2:6])[CH2:4][CH2:9][CH2:10][CH2:11]1.[I:1][C:2]1[CH:8]=[CH:7][C:5]([N:6]=[C:20]2[S:21][CH2:17][C:16]3([CH2:15][CH2:22][...
1
C(C)(C)(C)O[C@H](C(=O)OC(C)C)C=1C(=NC(=C(C1N1CCC(CC1)(C)C)C1=CC=C(C=C1)OCCC1=CC=C(C=C1)F)\C=C\COC(C)C)C>CCO[H].[OH-].[Na+]>C(C)(C)(C)O[C@H](C(=O)O)C=1C(=NC(=C(C1N1CCC(CC1)(C)C)C1=CC=C(C=C1)OCCC1=CC=C(C=C1)F)\C=C\COC(C)C)C
3
FC(C)(F)C1=NC=C(C=C1)C=C>O.O1CCOCC1.I(=O)(=O)(=O)[O-].[Na+].[Os](=O)(=O)(=O)=O>FC(C)(F)C1=NC=C(C=O)C=C1
3
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][N:9]2[C:13](=[O:14])[C:12]([CH3:16])([CH3:15])[CH2:11][O:10]2)=[C:4]([Cl:17])[CH:3]=1.[N:18]1[CH:23]=[CH:22][CH:21]=[C:20]2[C:24]([O:26][C:27](=[O:28])[C:19]=12)=[O:25]>O1CCCC1>[Cl:17][C:4]1[CH:3]=[C:2]([NH:1][C:27]([C:19]2[C:20]([C:24]([OH:26])=[O:25])=[CH:21][CH:22]=[CH:23][N:1...
1
[P:1]([O-:8])([O:5][CH2:6][CH3:7])[O:2][CH2:3][CH3:4].[CH2:9]([O:16][C:17]1[C:18]([CH3:26])=[C:19]([CH:24]=[O:25])[CH:20]=[N:21][C:22]=1[CH3:23])[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1.C1CCN2C(=NCCC2)CC1>ClCCl>[CH2:3]([O:2][P:1]([CH:24]([C:19]1[CH:20]=[N:21][C:22]([CH3:23])=[C:17]([O:16][CH2:9][C:10]2[CH:15]=[CH...
2
C(C1[C:9]([O:10][CH3:11])=[CH:8][CH:7]=[CH:6][C:4]=1[NH2:5])#N.[OH-].[K+].[C:14]([OH:17])(=[O:16])[CH3:15]>>[CH3:11][O:10][C:9]1[CH:8]=[CH:7][CH:6]=[C:4]([NH2:5])[C:15]=1[C:14]([OH:17])=[O:16]
1
FC1=NC(=CC(=C1)C1=NC(=NC=C1)NC1=CC=NN1C)NN.C(C)(C)(C)OC(CC(C(=O)O)CC1=CC=C(C=C1)Cl)=O>N(C)(C)C=O.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC1=CC=C(C=C1)CC(CC(=O)OC(C)(C)C)C(=O)N\N=C\1/NC(=CC(=C1)C1=NC(=NC=C1)NC=1N(N=CC1)C)F
3
C(C)(=O)C1=CC(=C(C=C1)C(C(=O)OC)=C)C.CC1=C(SC2=C1C=CC(=C2)C(F)(F)F)C=O>>CC1=C(SC2=C1C=CC(=C2)C(F)(F)F)C=CC(=O)C2=CC(=C(C=C2)C=CC(=O)OC)C
5
C(C)(=O)NCCCS(=O)(=O)OCC(CC=O)(C)C>CC(=O)C>C(C)(=O)NCCCS(=O)(=O)OCC(CC(=O)O)(C)C
3
C1(=CC=CC=C1)B(O)O.BrC=1C=C(C=2NC=3C=CC(=CC3C2N1)C(=O)N1CCOCC1)C(=O)N>C1CCCO1.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>N1(CCOCC1)C(=O)C1=CC=2C3=C(NC2C=C1)C(=CC(=N3)C3=CC=CC=C3)C(=O)N
3
[C:1](Cl)(=[O:3])[CH3:2].[Br:5][C:6]1[CH:7]=[C:8]([OH:12])[CH:9]=[CH:10][CH:11]=1.N1C=CC=CC=1.O>ClCCl>[C:1]([O:12][C:8]1[CH:9]=[CH:10][CH:11]=[C:6]([Br:5])[CH:7]=1)(=[O:3])[CH3:2]
1
BrC1=C(C=C(C(=O)OC)C=C1C(C)C)C(C)C.C(C)(C)(C)OC(C[Zn]Br)=O>C1CCCO1.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd]>C(C)(C)(C)OC(CC1=C(C=C(C(=O)OC)C=C1C(C)C)C(C)C)=O
3
ClC1=C2C(=NC=C1C#N)NC=C2.C(C1=CC=CC=C1)N1C[C@@H](CCC1)N>>C(C1=CC=CC=C1)N1C[C@@H](CCC1)NC1=C2C(=NC=C1C#N)NC=C2
5
C(C1=CC=CC=C1)OC1=C(C=C(C(=O)Cl)C=C1Cl)Cl.C(C1=CC=CC=C1)OC1=CC=CC2=C1NCCO2>>C(C1=CC=CC=C1)OC1=C(C=C(C=C1Cl)C(=O)N1CCOC2=C1C(=CC=C2)OCC2=CC=CC=C2)Cl
5
[OH:1][CH2:2][CH2:3][C@H:4]([O:9][CH3:10])[C:5]([O:7][CH3:8])=[O:6].O[N:12]1[C:20](=[O:21])[C:19]2[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=2)[C:13]1=[O:22].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.CC(OC(/N=N/C(OC(C)C)=O)=O)C.N#N>O>[O:22]=[C:13]1[C:14]2[C:19](=[CH:18][CH:17]=[CH:16][CH:15]=2)[C:20](=[O:21])[N:12]1[O:1][CH2:2...
1
C1(CCCCC1)[C@H](C)OC=1C=C(C=CC1)C1=CC(=CC=C1)N1N=CC(=C1[C@H]1[C@@H](C1)C=1N=NN(C1)COC(C(C)(C)C)=O)C(=O)OC>O.C1CCCO1.CO[H].CCO[H].[OH-].[Na+]>N1N=NC(=C1)[C@H]1[C@@H](C1)C1=C(C=NN1C=1C=C(C=CC1)C1=CC(=CC=C1)O[C@@H](C)C1CCCCC1)C(=O)O
3
[OH:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:7]([OH:9])=[O:8].C1CCCCC1>O>[CH2:7]([OH:8])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][OH:1].[C:7]1(=[O:9])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:7]1([OH:9])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
1
C(C)(C)(C)OC(=O)NC1=C(C=C(C=N1)NC(C(=O)OCC(F)(F)F)=O)C.N1C(CCCC1)C1=CC=NC=C1>C1CCCO1.C(CCC)[Li].[Cl-].[NH4+]>CC=1C(=NC=C(C1)NC(C(N1C(CCCC1)C1=CC=NC=C1)=O)=O)NC(OC(C)(C)C)=O
3
C(O[CH:4](O)[C:5]([C:7]1[CH:8]=[C:9]([NH:13][S:14]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)(=[O:16])=[O:15])[CH:10]=[CH:11][CH:12]=1)=[O:6])C.[CH3:24][C:25]([NH2:42])([CH3:41])[CH2:26][CH2:27][N:28]1[C:32]2[CH:33]=[C:34]3[C:39](=[CH:40][C:31]=2[N:30]=[CH:29]1)[CH:38]=[CH:37][CH:36]=[CH:35]3.[BH4-].[Na+].[F:45][C...
2
Cl.CONC.BrC1=CC(=C(C=C1)NC1=C(C(N2CCCC2=C1C(=O)O)=O)F)F>>CON(C(=O)C=1C(=C(C(N2CCCC12)=O)F)NC1=C(C=C(C=C1)Br)F)C
5
ClC=1C(=NC(=NC1)NC=1C=NN(C1)C)NC1CC2C(CN(C2)C(C(F)(F)F)=O)C1>>ClC=1C(=NC(=NC1)NC=1C=NN(C1)C)NC1CC2C(CN(C2)CC(F)(F)F)C1
5
S1C2=C(C=C1C1=NN(C3=CC=C(C=C13)C(=O)N)C1OCCCC1)C=CC=C2>>S1C2=C(C=C1C1=NNC3=CC=C(C=C13)C(=O)OC)C=CC=C2
5
C(#N)C1CCNCC1.C(N)(=O)C=1C=C(C=C2C=3C=CC(=CC3NC12)C(=O)O)C=1C(=NOC1C)C>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>C(#N)C1CCN(CC1)C(=O)C1=CC=C2C=3C=C(C=C(C3NC2=C1)C(=O)N)C=1C(=NOC1C)C
3
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:28]=[CH:27][C:11]3[N:12]=[C:13]([C:18]4[CH:19]=[C:20]([CH:24]=[CH:25][CH:26]=4)[C:21]([NH2:23])=[S:22])[CH2:14][C:15](=[O:17])[NH:16][C:10]=3[CH:9]=2)=[CH:4][CH:3]=1.Br[CH2:30][C:31](=O)[C:32]([O:34][CH2:35][CH3:36])=[O:33]>C(O)C>[CH2:35]([O:34][C:32]([C:31]1[N:23]=[C:21]([C:20]2...
1
C(C1=CC=CC=C1)ONC(=O)C(C(=O)O)CC(C)C>>ONC(=O)C(C(=O)O)CC(C)C
5
[Br:1][C:2]1[CH:11]=[C:10]2[C:5]([NH:6][C@@H:7]([CH3:19])[CH2:8][N:9]2[C:12]([O:14][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:13])=[CH:4][CH:3]=1.N1C=CC=CC=1.Cl[C:27]([O:29][CH3:30])=[O:28]>ClCCCl>[Br:1][C:2]1[CH:11]=[C:10]2[C:5](=[CH:4][CH:3]=1)[N:6]([C:27]([O:29][CH3:30])=[O:28])[C@@H:7]([CH3:19])[CH2:8][N:9]2[C:12]([O:1...
1
N[C@H](C(=O)O)CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O>>N(=O)SC[C@H](NC(CC[C@H](N)C(=O)O)=O)C(=O)NCC(=O)O
5
FC=1C=C2C=C(N(C2=CC1)CC1=CC=NC=C1)C(=O)OCC>>FC=1C=C2C=C(N(C2=CC1)CC1=CC=NC=C1)C(=O)O
5
[CH2:1]([O:3][C:4]([C:6]1[NH:7][C:8]2[C:13]([C:14]=1[CH:15]1[CH2:20][CH2:19][CH2:18][NH:17][CH2:16]1)=[CH:12][CH:11]=[CH:10][CH:9]=2)=[O:5])[CH3:2].[Br:21][C:22]1[CH:27]=[CH:26][C:25]([CH2:28]Br)=[C:24]([F:30])[CH:23]=1.C(N(CC)CC)C>ClC(Cl)C.C(OCC)(=O)C>[CH2:1]([O:3][C:4]([C:6]1[NH:7][C:8]2[C:13]([C:14]=1[CH:15]1[CH2:20...
2
Cl[C:2]1[C:11]2[C:6](=[C:7]([N+:12]([O-:14])=[O:13])[CH:8]=[CH:9][CH:10]=2)[CH:5]=[CH:4][N:3]=1.[F:15][C:16]1[CH:22]=[C:21]([C:23]([F:26])([F:25])[F:24])[CH:20]=[CH:19][C:17]=1[NH2:18]>CN1CCCC1=O>[F:15][C:16]1[CH:22]=[C:21]([C:23]([F:25])([F:26])[F:24])[CH:20]=[CH:19][C:17]=1[NH:18][C:2]1[C:11]2[C:6](=[C:7]([N+:12]([O-...
1
[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[C:9]1[C:17]2[C:12](=[CH:13][C:14]([O:18][CH2:19][CH2:20][CH:21]3[CH2:26][CH2:25][N:24]([S:27]([CH3:30])(=[O:29])=[O:28])[CH2:23][CH2:22]3)=[CH:15][CH:16]=2)[C:11](=[O:31])[C:10]=1C1C=CC(C)=CC=1.O1CCN(CCOC2C=C3C(C(C4C=CC=CC=4)=C(Br)C3=O)=CC=2)CC1.[CH3:65][O:66][C:67]1[N...
2
[O:1]=[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5]([O:12][C:13]2[CH:14]=[C:15]([CH:21]=[CH:22][CH:23]=2)[C:16]([O:18]CC)=[O:17])=[N:4][NH:3]1.Cl>[OH-].[K+]>[O:1]=[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5]([O:12][C:13]2[CH:14]=[C:15]([CH:21]=[CH:22][CH:23]=2)[C:16]([OH:18])=[O:17])=[N:4][NH:3]1
1
C[C@@H](N)C1C=CC=CC=1.[Cl:10][C:11]1[CH:12]=[C:13]([CH:23]=[CH:24][C:25]=1[Cl:26])[CH2:14][C:15]1([CH3:22])[NH:19][C:18](=[O:20])[NH:17][C:16]1=[O:21]>CC(C)=O>[Cl:10][C:11]1[CH:12]=[C:13]([CH:23]=[CH:24][C:25]=1[Cl:26])[CH2:14][C@:15]1([CH3:22])[NH:19][C:18](=[O:20])[NH:17][C:16]1=[O:21]
1
N([C@@H]([C@H](OC(C)(C)C)C)C(=O)O)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12.N[C@@H](COC(C)(C)C)C(=O)OCC1=CC=CC=C1>N(C)(C)C=O.C([O-])([O-])=O.[Na+].[Na+].OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C.COC1CCCC1>N([C@@H]([C@H](OC(C)(C)C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)OCC1=CC=CC=C1)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12
3
[Br:1][C:2]1[CH:3]=[C:4]([C:7]([NH:9][CH:10](O)[C:11]([Cl:14])([Cl:13])[Cl:12])=[O:8])[O:5][CH:6]=1.[N:16]([CH:19]1[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22][CH2:21][CH2:20]1)=C=O>C1C=CC=CC=1.C(N(CC)CC)C>[Br:1][C:2]1[CH:3]=[C:4]([C:7]([NH:9][CH:10]([NH:16][CH:19]2[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22][CH2:21][CH2:20]2)...
1
ClC=1C=C(C(=NC1)C(=O)C=1C(=NC=CC1C)C)[N+](=O)[O-]>[Fe].C(C)(=O)O>NC=1C(=NC=C(C1)Cl)C(=O)C=1C(=NC=CC1C)C
3
C1(CCCC1)N1C(C(=CC2=C1N=C(N=C2)SC)CC(=O)O)=O>S(O)(O)(=O)=O.ClCCl.CCO[H]>C1(CCCC1)N1C(C(=CC2=C1N=C(N=C2)SC)CC(=O)OCC)=O
3