Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
C(C)(C)(C)OC(=O)N1CC(CCC1)O>C1CCCO1.[H-].[Na+].BrCC(=O)OC>COC(COC1CN(CCC1)C(=O)OC(C)(C)C)=O
3
NC1=CC=NC=C1.BrC1=CC(=NC=C1)C(=O)O.C1C(CC2=CC=CC=C12)NC=1N=CC2=C(N1)CCNC2>ClCCl.Cl.CN(CCCN=C=NCC)C>BrC1=CC(=NC=C1)C(=O)N1CC2=C(N=C(N=C2)NC2CC3=CC=CC=C3C2)CC1
3
[CH3:1][S:2]([C:5]1[CH:6]=[CH:7][C:8]2[O:13][CH2:12][C:11](=[O:14])[N:10]([CH2:15][CH2:16][N:17]3[CH2:22][CH2:21][CH:20]([NH:23]C(=O)OC(C)(C)C)[CH2:19][CH2:18]3)[C:9]=2[CH:31]=1)(=[O:4])=[O:3].NC1CCN(CCN2C3C(=CC=C(C#N)C=3)C=CC2=O)CC1>>[NH2:23][CH:20]1[CH2:21][CH2:22][N:17]([CH2:16][CH2:15][N:10]2[C:9]3[CH:31]=[C:5]([S:...
1
[Br:1][C:2]1[CH:9]=[CH:8][C:5]([CH2:6][OH:7])=[CH:4][CH:3]=1.C(N(CC)CC)C.[CH3:17][S:18](Cl)(=[O:20])=[O:19].O>C(OCC)(=O)C.C(OCC)(=O)C.CCCCCC>[CH3:17][S:18]([O:7][CH2:6][C:5]1[CH:8]=[CH:9][C:2]([Br:1])=[CH:3][CH:4]=1)(=[O:20])=[O:19]
1
CC=1SC2=C(N1)C=C(C=C2)C(F)(F)F>O.S(O)(O)(=O)=O.[N+](=O)(O)[O-]>CC=1SC2=C(N1)C=C(C(=C2)[N+](=O)[O-])C(F)(F)F
3
C[Si](C)(C)[N-][Si](C)(C)C.[Li+].[C:11]1([N:17]2[CH2:21][CH2:20][CH2:19][C:18]2=[O:22])[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1.Cl>O1CCCC1>[CH2:16]([C:19]1([CH2:15][CH:14]=[CH2:13])[CH2:20][CH2:21][N:17]([C:11]2[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=2)[C:18]1=[O:22])[CH:11]=[CH2:12]
2
COC=1C=C(CN2C3=CC=CC=C3C=3C(=CC=CC23)OC(C(=O)O)C2=CC=CC=C2)C=CC1OCC=1N=C(OC1C)C1=CC=CC=C1>[OH-].[Na+].CC(C)O>COC=1C=C(CN2C3=CC=CC=C3C=3C(=CC=CC23)OC(C(=O)[O-])C2=CC=CC=C2)C=CC1OCC=1N=C(OC1C)C1=CC=CC=C1.[Na+]
3
[Cl:1][CH2:2][CH:3]([OH:13])[CH2:4][C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([F:11])[C:6]=1[CH3:12].CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C1=CC=CC=2)=O.C(OCC)C>C(Cl)Cl>[Cl:1][CH2:2][C:3](=[O:13])[CH2:4][C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([F:11])[C:6]=1[CH3:12]
1
BrC=1C=C(C=C2CCCN(C12)[C@H]1C[C@@H](N(C1)C(=O)OC(C)(C)C)C(=O)OC)Cl>C1CCCO1.[BH4-].[Li+]>BrC=1C=C(C=C2CCCN(C12)[C@H]1C[C@@H](N(C1)C(=O)OC(C)(C)C)CO)Cl
3
ClC1=NC=C(C(=C1)C)[N+](=O)[O-].FC(C=1C=C(C=CC1)O)(F)F>CC#N.[OH-].[Na+]>CC1=CC(=NC=C1[N+](=O)[O-])OC1=CC(=CC=C1)C(F)(F)F
3
CC(C)([O-])C.[K+].[NH2:7][C:8]1[N:13]=[C:12]([C:14]2[CH:19]=[CH:18][C:17]([OH:20])=[CH:16][C:15]=2[O:21][CH3:22])[CH:11]=[CH:10][CH:9]=1.S(O)(=O)(=O)C.[C:28]([N:35]1[CH2:40][CH2:39][CH:38](O)[CH2:37][CH2:36]1)([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29].S([O-])(=O)(=O)C>CS(C)=O.O>[C:31]([O:30][C:28]([N:35]1[CH2:40...
2
C(C)(C)(C)C1=CC=C(C=C1)CC(=O)N[C@@H](C=1N=NN(C1)C(C(=O)OC)(C)C)C1=NC=C(C=C1)OCC(F)(F)F>>C(C)(C)(C)C1=CC=C(C=C1)CC(=O)N[C@H](C1=NC=C(C=C1)OCC(F)(F)F)C=1N=NN(C1)C(CO)(C)C
5
C(C)(C)(C)OC(=O)N[C@@H]1[C@@H](CCCC1)N.ClC1=NC(=C(C2=C1C(N(C2)CC2=C(C=C(C=C2)OC)OC)=O)F)Cl>CC#N.O.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC>ClC1=NC(=C(C2=C1C(N(C2)CC2=C(C=C(C=C2)OC)OC)=O)F)N[C@H]2[C@H](CCCC2)NC(OC(C)(C)C)=O
3
N[C:2]1[C:7]([O:8][C:9]2[CH:10]=[C:11]([CH:14]=[C:15]([Cl:17])[CH:16]=2)[C:12]#[N:13])=[C:6]([Cl:18])[CH:5]=[CH:4][N:3]=1.N([O-])=[O:20].[Na+]>OS(O)(=O)=O>[Cl:17][C:15]1[CH:14]=[C:11]([CH:10]=[C:9]([O:8][C:7]2[C:2]([OH:20])=[N:3][CH:4]=[CH:5][C:6]=2[Cl:18])[CH:16]=1)[C:12]#[N:13]
1
C1(=CC=CC=C1)C1=C(C=CC=C1)O.IC=1C=C(C=C(C1)C)C>[Cu]I.C(CCC)O.C(=O)([O-])[O-].[Cs+].[Cs+].CCCCCCCCCCCC>C(CCC)OC1=CC(=CC(=C1)C)C
3
[H-].[Na+].Br[CH2:4][C:5]([OH:7])=[O:6].[CH3:8][CH:9]([CH:11]1[CH2:13][CH2:12]1)[OH:10].O>C1COCC1>[CH:11]1([CH:9]([O:10][CH2:4][C:5]([OH:7])=[O:6])[CH3:8])[CH2:13][CH2:12]1
1
CC(C)(C)OC(=O)N1C(CN(CC1)C(=O)OC(C)(C)C)C(CC1=CC=CC=C1)(CC1=CC=CC=C1)O>>C1(=CC=CC=C1)CC1(OC(N2C1CN(CC2)C(=O)OC(C)(C)C)=O)CC2=CC=CC=C2
5
[C:1]([OH:13])(=[O:12])[CH2:2][C:3]([CH2:8][C:9]([OH:11])=[O:10])([C:5]([OH:7])=[O:6])[OH:4].C(O)[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O.[C:26]([OH:34])(=[O:33])[CH:27]([CH2:29][C:30]([OH:32])=[O:31])[OH:28].C(=O)(O)[O-].[Na+:39]>>[C:1]([O-:13])(=[O:12])[CH2:2][C:3]([CH2:8][C:9]([OH:11])=[O:10])([C:5]([OH:7])=[O:6])[OH:4...
1
N1C=CC=CC=1N1[C:12](=[S:13])[N:11]2[CH:14]=[CH:15][CH:16]=[CH:17][C:10]2=[N:9]C1=S.[Cl:19][C:20]1[CH:25]=[CH:24][C:23]([N:26]=[C:27]=[O:28])=[CH:22][CH:21]=1>C(#N)C>[Cl:19][C:20]1[CH:25]=[CH:24][C:23]([N:26]2[C:12](=[S:13])[N:11]3[CH:14]=[CH:15][CH:16]=[CH:17][C:10]3=[N:9][C:27]2=[O:28])=[CH:22][CH:21]=1
1
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6](O)=[CH:5][CH:4]=1.N12CCCNC1CCCC=C2.[CH3:21][C:22]([OH:26])([CH:24]=[CH2:25])[CH3:23].FC(F)(F)C(OC(=O)C(F)(F)F)=O.[Cl-].[NH4+]>C(#N)C.[Cu]Cl>[CH3:21][C:22]([CH3:23])([O:26][C:6]1[CH:7]=[CH:8][C:3]([O:2][CH3:1])=[CH:4][CH:5]=1)[CH:24]=[CH2:25]
2
NC1=C(C=C(C(=O)O)C=C1)C(F)(F)F>>IC1=C(C=C(C(=O)O)C=C1)C(F)(F)F
5
CC[Mg+].[Br-].ClC1=C(C=C(C#N)C=C1)F>O.O(C(C)(C)C)C.[OH-].[Na+].CC([O-])C.[Ti+4].CC([O-])C.CC([O-])C.CC([O-])C.B(F)(F)F.CCOCC>ClC1=C(C=C(C=C1)C1(CC1)N)F
3
NC1=C(C=CC=C1)N.CC1(CN(CC1)C(=O)OC(C)(C)C)N1CCC(CC1)=O>>NC1=C(C=CC=C1)NC1CCN(CC1)C1(CN(CC1)C(=O)OC(C)(C)C)C
5
[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]2[O:10][C:9](B(O)O)=[CH:8][C:7]=2[CH:14]=1.Br[C:16]1[N:21]=[N:20][C:19]([NH2:22])=[CH:18][CH:17]=1.CCN(CC)CC>CCO.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>[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]2[O:10][C:9]([C:16]3[N:21]=[N:20][C:19]([N...
1
ClC1=C(C(=CC=C1)Cl)N=C=O.NC(C(=O)OC)CC=1C=C2C=CC(=NC2=CC1)C1=C(C=CC=C1Cl)Cl>>ClC1=C(NC(=O)NC(C(=O)OC)CC=2C=C3C=CC(=NC3=CC2)C2=C(C=CC=C2Cl)Cl)C(=CC=C1)Cl
5
NC=1C(=NC=CC1C)Br.CC1(OB(OC1(C)C)C(=C)C)C>>CC1=C(C(=NC=C1)C(=C)C)N
5
[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[C@@:9]1([CH2:13][N:14]2[CH:18]=[N:17][CH:16]=[N:15]2)[C@H:11]([CH3:12])[O:10]1.[CH3:19][C:20]1[O:21][CH:22]=[C:23]([C:25]2[CH:30]=[CH:29][C:28]([N:31]3[CH:35]=[N:34][NH:33][C:32]3=[O:36])=[CH:27][CH:26]=2)[N:24]=1.C(=O)([O-])[O-].[K+].[K+].CN1CCCC1=O>C(OCC)(=O)C.CN(C)C...
1
[C:1]([O-:6])(=O)[C:2]([NH2:4])=[O:3].[NH2:7][C:8]1[CH:13]=[CH:12][C:11](C(C2C=CC(O)=CC=2)(C)C)=[CH:10][CH:9]=1>ClC1C=CC=CC=1Cl>[CH:11]1[CH:12]=[CH:13][C:8]([NH:7][C:1]([C:2]([NH:4][C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)=[O:3])=[O:6])=[CH:9][CH:10]=1
1
C(C)(=O)OC[C@H]1[C@H](CC1)CO>>C(C)(=O)OC[C@H]1[C@@H](CC1)C=O
5
CCCC[Sn](CCCC)(CCCC)C=C.C(C1=CC=CC=C1)(=O)NC1=C(C(=O)OC(C)(C)C)C=CC(=C1)Br>C1(=CC=CC=C1)C.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(C1=CC=CC=C1)(=O)NC1=C(C(=O)OC(C)(C)C)C=CC(=C1)C=C
3
N(=[N+]=[N-])CC1=CC=CC(=N1)C1(CC2CCC(C1)N2C(C2=C(C=CC=C2)Cl)C2=C(C=CC=C2)Cl)O>CO[H].C(C)(=O)OCC.N.[Pd].CC(=O)[O-].CC(=O)[O-].[Pb+2]>NCC1=CC=CC(=N1)C1(CC2CCC(C1)N2C(C2=C(C=CC=C2)Cl)C2=C(C=CC=C2)Cl)O
3
BrCC(=O)C1=CC(=C(C=C1)Cl)C>>C(C)(=O)OCC(=O)C1=CC(=C(C=C1)Cl)C
5
[C:1]([Cu])#[N:2].[CH2:4]([CH:11]1[N:16]([CH3:17])[C:15](=[O:18])[C:14](=[CH:19][C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=2Br)[N:13]([CH3:27])[C:12]1=[O:28])[C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1.[C-]#N.[Na+]>CN1C(=O)CCC1>[CH2:4]([CH:11]1[C:12](=[O:28])[N:13]([CH3:27])[C:14](=[CH:19][C:20]2[CH:25]=[CH:24][CH:23]=[...
2
Cl.NC(C(=O)O)C1=CC=C(C=C1)I>>NC(CO)C1=CC=C(C=C1)I
5
FC1=CC=C(C=C1)[N+](=O)[O-].C(C)OCC1(CCNCC1)CCC1=CC=CC=C1>>C(C)OCC1(CCN(CC1)C1=CC=C(C=C1)[N+](=O)[O-])CCC1=CC=CC=C1
5
C1COCCC12CCNCC2.BrC=1C=C2C(=CC=NC2=CC1)C(=O)OC>O1CCOCC1.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].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+]>C1COCCC12CCN(CC2)C=2C=C1C(=CC=N...
3
C(=O)C1=CC=C(O1)C=CC(=O)O>CC#N.O(O[H])[H].O.Cl(=O)[O-].[Na+].P(=O)(O)(O)[O-].[Na+]>C(=O)(O)C1=CC=C(O1)C=CC(=O)O
3
[NH:1](C(OC(C)(C)C)=O)[C@H:2]([C:15]([NH:17][C@H:18]([C:26]([O:28][CH2:29][CH3:30])=[O:27])[CH2:19][CH2:20][CH2:21][NH:22][C:23](=[NH:25])[NH2:24])=[O:16])[CH2:3][C:4]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[N:6]([CH:13]=[O:14])[CH:5]=1.[C:38]([OH:44])([C:40]([F:43])([F:42])[F:41])=[O:39].CCOCC>C(Cl)Cl>[NH2:1][C@H...
2
C(C1=CC=CC=C1)N(CCN1C=NC(=C1)C1=NC=CC(=C1)C(=O)OC)C>>C(C1=CC=CC=C1)N(CCN1C=NC(=C1)C1=NC=CC(=C1)C(=O)O)C
5
BrCC(=O)C12COC(C1)(C2)CF.NC1=NC=C(C(=N1)OC(C)C)C(=O)OC(C)C>CC#N.C1(=CC=CC=C1)C.CO[H].C(O)([O-])=O.[Na+]>FCC12OCC(C1)(C2)C=2N=C1N(C=C(C(=N1)OC(C)C)C(=O)OC(C)C)C2
3
C1(CC1)COC1=C(C2=C(OCO2)C=C1)C=1C2=C(N=CN1)C(=CN2)C(=O)O.N[C@@H](C(=O)N1CCC(CC1)N1N=C(CC(C1=O)(C)C)C1=CC=C(C2=C1CC(O2)(C)C)OC)CC2=CC=CC=C2>ClCCl.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>C1(CC1)COC1=C(C2=C(OCO2)C=C1)C=1C2=C(N=CN1)C(=C(N2)C)C(=O)N[C@@H](C(=O)N2CCC(CC2)N2N=C(CC(C2=O)(C)C)...
3
[C:1]1([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)[CH:6]=[CH:5][C:4]([C:7]([NH2:9])=[O:8])=[CH:3][CH:2]=1.[Cl:16][CH2:17][C:18](Cl)=[O:19]>C1(C)C=CC=CC=1>[Cl:16][CH2:17][C:18]([NH:9][C:7]([C:4]1[CH:3]=[CH:2][C:1]([C:10]2[CH:11]=[CH:12][CH:13]=[CH:14][CH:15]=2)=[CH:6][CH:5]=1)=[O:8])=[O:19]
2
C(C)(C)(C)OC(CNCC1=CC=CC=C1)=O.C(C)OC(C1=C(N=CC=C1)CBr)=O>O.C1CCCO1.CCN(CC)CC>C(C1=CC=CC=C1)N(CC(=O)OC(C)(C)C)CC1=NC=CC=C1C(=O)OCC
3
COC(/C(=C/[O-])/C(=O)OC)OC.[Na+]>N(C)(C)C=O.Cl.NC(=N)N>NC1=NC=C(C=N1)C(=O)OC
3
ClC1=C(C=C(C(=O)N(C)C2=C(C=CC=C2)OC)C=C1)C=1C=NC(=CC1)C#N>>ClC1=C(C=C(C=C1)C(N(C)C1=C(C=CC=C1)OC)=O)C=1C=CC(=NC1)C(=O)N
5
BrCC1=C(C=C(C=C1)C=1OC(=NN1)C(F)F)F.S1C(=CC=C1)NC(=O)N1CCOCC1>N(C)(C)C=O.O.[H-].[Na+]>FC(C1=NN=C(O1)C1=CC(=C(CN(C(=O)N2CCOCC2)C=2SC=CC2)C=C1)F)F
3
[S:1]1[C:9]2[CH:8]=[CH:7][N:6]=[CH:5][C:4]=2[N:3]=[C:2]1[NH:10]C(=O)C.O.[OH-].[Li+]>CO>[S:1]1[C:9]2[CH:8]=[CH:7][N:6]=[CH:5][C:4]=2[N:3]=[C:2]1[NH2:10]
1
[N+:1]([C:4]1[CH:5]=[N:6][N:7]([CH2:9][CH2:10][N:11]2[CH2:16][CH2:15][O:14][CH2:13][CH2:12]2)[CH:8]=1)([O-])=O.[H][H]>CCO.[Pd]>[N:11]1([CH2:10][CH2:9][N:7]2[CH:8]=[C:4]([NH2:1])[CH:5]=[N:6]2)[CH2:16][CH2:15][O:14][CH2:13][CH2:12]1
2
[CH3:1][O:2][C:3]([C:5]1[S:6][CH:7]=[C:8]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[C:9]=1[S:10]([NH2:13])(=[O:12])=[O:11])=[O:4].[CH3:20][O:21][C:22]1[CH:27]=[C:26]([O:28][CH3:29])[N:25]=[C:24]([N:30](C2C=CC=CC=2)[C:31](=O)[O-:32])[N:23]=1.N12CCCN=C1CCCCC2.CS(O)(=O)=O>O.C(#N)C>[CH3:1][O:2][C:3]([C:5]1[S:6][CH:7]...
1
[CH3:1][N:2]([CH3:5])[CH:3]=[O:4].NC([C:9]1[N:13]2[C:14]3[CH:48]=[CH:47][C:46]([Cl:49])=[CH:45][C:15]=3[C@@H:16]([C:35]3[CH:40]=[CH:39][CH:38]=[C:37]([O:41][CH3:42])[C:36]=3[O:43][CH3:44])[O:17][C@H:18]([CH2:19][CH2:20][C:21]([N:23]3[CH2:28][CH2:27][CH:26]([CH2:29][C:30]([O:32][CH2:33][CH3:34])=[O:31])[CH2:25][CH2:24]3...
2
N1N=CC=2C(=CC=CC12)N.ClC=1C(=NC=CN1)C(C#N)C#N>CN1C(CCC1)=O.C(O)([O-])=O.[Na+]>NC1=C(C=2C(=NC=CN2)N1C1=C2C=NNC2=CC=C1)C#N
3
[C:1]([O:4][C@@H](C(N)(C)[C@H](O)C)C)(=[O:3])[CH3:2].[CH3:13][C@:14]([N+:20]([O-])=O)([C@@H:17]([OH:19])[CH3:18])[CH2:15][OH:16]>>[C:1]([OH:4])(=[O:3])[CH3:2].[NH2:20][C@@:14]([CH3:13])([C@@H:17]([OH:19])[CH3:18])[CH2:15][OH:16]
1
[F:1][C:2]([F:12])([F:11])[C:3]([F:10])=[C:4]([F:9])[C:5]([F:8])([F:7])[F:6].[CH:13]1[CH2:17][CH:16]=[CH:15][CH:14]=1>>[F:9][C:4]1([C:5]([F:8])([F:7])[F:6])[C:3]([F:10])([C:2]([F:11])([F:12])[F:1])[CH:16]2[CH2:17][CH:13]1[CH2:14][CH2:15]2
1
C([CH2:4][NH:5][C:6]1[CH:14]=[CH:13][C:12]([Cl:15])=[CH:11][C:7]=1[C:8](O)=O)(O)=O.[C:16]([O-:19])(=[O:18])[CH3:17].[Na+].C(O[C:25](=[O:27])[CH3:26])(=O)C>>[C:25]([N:5]1[C:6]2[C:7](=[CH:11][C:12]([Cl:15])=[CH:13][CH:14]=2)[C:8]([O:18][C:16](=[O:19])[CH3:17])=[CH:4]1)(=[O:27])[CH3:26]
1
Cl.Cl.N1CCC(CC1)SC1=CC=CC=2N1C=CN2>ClCCl.CCN(CC)CC.FC(S(=O)(=O)OS(=O)(=O)C(F)(F)F)(F)F>FC(S(=O)(=O)N1CCC(CC1)SC1=CC=CC=2N1C=CN2)(F)F
3
FC(C1=C(C=CC=C1)C1=NC=2N(C=C1)N=CC2C(=O)O)(F)F>N(C)(C)C=O.C(C(=O)Cl)(=O)Cl>FC(C1=C(C=CC=C1)C1=NC=2N(C=C1)N=CC2C(=O)Cl)(F)F
3
N1=C(C=CC=C1)NCCNC(=O)C1=NN(C=C1NC(=O)C1=NC=CC=C1)C1OCCCC1>CCO[H].O.C1(=CC=C(C=C1)S(=O)(=O)O)C>N1=C(C=CC=C1)NCCNC(=O)C1=NNC=C1NC(=O)C1=NC=CC=C1
3
[NH2:1][C:2]1[S:6][N:5]=[C:4]([CH3:7])[C:3]=1[C:8]([NH:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[CH2:17][CH3:18])=[O:9].Cl[C:20]1[CH:25]=[CH:24][N:23]=[C:22]([C:26]#[N:27])[N:21]=1.C(=O)([O-])[O-].[Cs+].[Cs+].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>O1CCOCC1.CN(C=O)C...
2
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:9][C:10]3[CH:16]=[CH:15][C:14]([C:17](Cl)=[O:18])=[CH:13][C:11]=3[N:12]=2)=[CH:4][CH:3]=1.[C:20]1([CH:27]=[CH:26][CH:25]=[C:23]([OH:24])[CH:22]=1)[OH:21].[OH-:28].[Na+]>C(Cl)(Cl)Cl.O>[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:9][C:10]3[CH:16]=[CH:15][C:14]([C:17]([O:21][C:20]4[CH:...
1
[O:1]1[CH2:6][CH2:5][O:4][CH2:3][C@@H:2]1[CH2:7][O:8][C:9]1[CH:18]=[C:17]2[C:12]([C:13]([NH:19][C:20]3[CH:25]=[CH:24][C:23]([F:26])=[C:22]([Cl:27])[CH:21]=3)=[N:14][CH:15]=[N:16]2)=[CH:11][C:10]=1[NH:28][C:29](=[O:34])/[CH:30]=[CH:31]/[CH2:32][Br:33].ClC[C@@H]1CO1>>[O:1]1[CH2:6][CH2:5][O:4][CH2:3][C@H:2]1[CH2:7][O:8][C...
2
C(C1=CC=CC=C1)OC(CC(C(=O)N)NC(=O)OC(C)(C)C)=O>c1ccncc1.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.O1CCOCC1>C(C1=CC=CC=C1)OC(CC(C#N)NC(=O)OC(C)(C)C)=O
3
BrCC(CC)CC.COC=1C=C(C=O)C=C(C1O)OC>>C(C)C(COC1=C(C=C(C=O)C=C1OC)OC)CC
5
C1(CC1)C(O)C1=CC=C(C=C1)F.CC1=NOC(=C1C=1C=C2C(=NC1)NC=C2)C>>C1(CC1)C(C1=CNC2=NC=C(C=C21)C=2C(=NOC2C)C)C2=CC=C(C=C2)F
5
[CH3:1][C:2]1[C:6]2[C:7](=[O:18])[N:8]([CH2:11][CH2:12][N:13]3[CH2:17][CH2:16][CH2:15][CH2:14]3)[CH2:9][CH2:10][C:5]=2[NH:4][C:3]=1[CH:19]=O.[F:21][C:22]1[CH:23]=[C:24]2[C:28](=[CH:29][C:30]=1[NH:31][C:32](=[O:35])[CH2:33][OH:34])[NH:27][C:26](=[O:36])[CH2:25]2>>[F:21][C:22]1[CH:23]=[C:24]2[C:28](=[CH:29][C:30]=1[NH:31...
1
C([O:9][CH2:10][CH2:11][N:12]1[C:20]2[C:19](Cl)=[N:18][CH:17]=[N:16][C:15]=2[CH:14]=[CH:13]1)(=O)C1C=CC=CC=1.[S:22]1[C:26]2[CH:27]=[CH:28][CH:29]=[C:30]([O:31][C:32]3[CH:38]=[CH:37][C:35]([NH2:36])=[CH:34][C:33]=3[CH3:39])[C:25]=2[CH:24]=[N:23]1.C(O)(C)C.[OH-].[Na+]>C(O)C>[S:22]1[C:26]2[CH:27]=[CH:28][CH:29]=[C:30]([O:...
2
ClC=1C=C2C(=NC1)NC(=C2)C(=O)O.Cl.N[C@H](C(=O)N1C[C@H](CC1)O)CC1=CC=C(C=C1)F>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>FC1=CC=C(C[C@@H](C(=O)N2CC(CC2)O)NC(=O)C2=CC=3C(=NC=C(C3)Cl)N2)C=C1
3
Br[C:2]1[CH:11]=[C:10]2[C:5]([CH2:6][CH:7]([CH3:26])[N:8]([C:12]3[CH:17]=[C:16]([N:18]4[CH2:23][CH2:22][N:21]([CH3:24])[CH2:20][CH2:19]4)[N:15]=[C:14]([NH2:25])[N:13]=3)[CH2:9]2)=[CH:4][CH:3]=1.CC1(C)C(C)(C)OB([C:35]2[CH:36]=[N:37][N:38]([CH2:40][CH2:41][C:42]#[N:43])[CH:39]=2)O1.C(=O)(O)[O-].[Na+].O1CCOCC1>CO.C1C=CC([...
1
[C:1]([C:5]1[C:6]([O:28][CH3:29])=[C:7]([C:19]#[C:20][C:21]2[N:26]=[CH:25][C:24]([NH2:27])=[CH:23][CH:22]=2)[CH:8]=[C:9]([C:11]2[C:12]([O:17][CH3:18])=[N:13][CH:14]=[CH:15][CH:16]=2)[CH:10]=1)([CH3:4])([CH3:3])[CH3:2].[H][H]>[OH-].[OH-].[Pd+2].CCOC(C)=O.CO>[C:1]([C:5]1[C:6]([O:28][CH3:29])=[C:7]([CH2:19][CH2:20][C:21]2...
1
C(C(C)C)=O.CNC=O>[OH-].[Na+]>CC(CN(C=O)C)(C=O)C
3
[CH2:1]([OH:19])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]C.CC(CCCCCCCCC)CO.C(C(CCCCCCC)CO)CC>>[CH2:1]([OH:19])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17]
1
[C:1]([C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][C:14]1[CH:22]=[CH:21][C:17]([C:18]([OH:20])=O)=[CH:16][CH:15]=1)[O:9][CH2:8][CH2:7][CH:6]2[C:23]([O:25][CH3:26])=[O:24])#[N:2].C(Cl)(=O)C(Cl)=O.C(N(CC)CC)C.[C:40]1([CH:46]2[CH2:48][CH:47]2[NH2:49])[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1>ClCCl.CN(C=O)C>[C:40]1([CH:4...
1
[F:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[F:10])[CH:5]=O.[C:11]([O:15]C(=O)CC)(=[O:14])[CH2:12][CH3:13].C([O-])(=O)CC.[Na+]>O>[F:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[F:10])[CH:5]=[C:12]([CH3:13])[C:11]([OH:15])=[O:14]
1
[CH:1]([C:3]1[CH:4]=[CH:5][C:6]2[N:7]([C:9]([CH2:12][NH:13][C:14](=[O:20])[O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[N:10][N:11]=2)[N:8]=1)=C.O.I([O-])(=O)(=O)=[O:23].[Na+]>C1COCC1.[Os](=O)(=O)(=O)=O>[CH:1]([C:3]1[CH:4]=[CH:5][C:6]2[N:7]([C:9]([CH2:12][NH:13][C:14](=[O:20])[O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[N:1...
1
[NH2:1][C:2]1[C:3]2[C:29]([CH3:36])([C:30]([NH:32][CH:33]3[CH2:35][CH2:34]3)=[O:31])[C:28](=[O:37])[NH:27][C:4]=2[N:5]=[C:6]([C:8]2[C:16]3[C:11](=[N:12][C:13](Cl)=[CH:14][CH:15]=3)[N:10]([CH2:18][CH2:19][C:20]([F:26])([F:25])[C:21]([F:24])([F:23])[F:22])[N:9]=2)[N:7]=1.[CH3:38][O-:39].[Na+].Cl>CO>[NH2:1][C:2]1[C:3]2[C:...
1
CC1N(CCC(C1)C=1OC(=NN1)C)C(=O)OC(C)(C)C>>CC=1OC(=NN1)C1CC(NCC1)C
5
FC1=CC2=C(N(C(N2C)=O)C)C=C1[N+](=O)[O-]>[Fe].C(C)(=O)O>NC1=CC2=C(N(C(N2C)=O)C)C=C1F
3
OC(=O)C(F)(F)F.N[C@H](C(=O)[C@@]1(OC1)C)CC1=CC=CC=C1.C(C1=CC=CC=C1)OC[C@@H](C(=O)N[C@H](C(=O)O)CC1=CC=C(C=C1)OC)NC(=O)OC(C)(C)C>N(C)(C)C=O.C(C)(C)N(C(C)C)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(C1=CC=CC=C1)OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@]1(OC1)C)CC1=CC=CC=C1)CC1=CC=C(...
3
C(C)OC1(CC1)O[Si](C)(C)C.C(C)(C)(C)OC(=O)N1CC2NC(C1)C2>O.C1CCCO1.CO[H].[OH-].[Na+].C(C)(=O)O.C(#N)[BH3-].[Na+]>C1(CC1)N1C2CN(CC1C2)C(=O)OC(C)(C)C
3
C(CC(C)C)(=O)Cl.C1(=CC=CC=C1)NC1CCN[C@H]2CCCC[C@]12O>ClCCl.C(O)([O-])=O.[Na+]>O[C@]12C(CCN([C@H]2CCCC1)C(CC(C)C)=O)NC1=CC=CC=C1
3
C(#N)C=1C=C(C=CC1)N1N=C(C=C1C(=O)O)C(F)(F)F.NC=1C(=C2CCN(CC2=CC1)C(=O)OC(C)(C)C)F>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>C(#N)C=1C=C(C=CC1)N1N=C(C=C1C(=O)NC=1C(=C2CCN(CC2=CC1)C(=O)OC(C)(C)C)F)C(F)(F)F
3
CS(=O)(=O)C=1C=C(C=CC1)B(O)O.BrC1=CC=C(C=C1)C1=CC(=NN1C1=C(C=CC=C1)C(F)(F)F)C(C)(C)O>>CS(=O)(=O)C=1C=C(C=CC1)C1=CC=C(C=C1)C1=CC(=NN1C1=C(C=CC=C1)C(F)(F)F)C(C)(C)O
5
Cl.C(C)OC(=O)C1CCNCC1.ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C=1C=CC=C2C(=CN(C12)C)C=O>CCO[H].[OH-].[Na+]>ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C=1C=CC=C2C(=CN(C12)C)CN1CCC(CC1)C(=O)OCC
3
ClC=1C=C2C(=C(NC2=C(C1)F)[Si](CC)(CC)CC)CCNC(C1=CC=C(C=C1)CC1=CC(=CC=C1)F)=O>C(=O)(C(F)(F)F)O>ClC=1C=C2C(=CNC2=C(C1)F)CCNC(C1=CC=C(C=C1)CC1=CC(=CC=C1)F)=O
3
Cl.[C:2]([NH:6][OH:7])([CH3:5])([CH3:4])[CH3:3].[CH3:8][O:9][P:10]([C:14]1[CH:21]=[CH:20][CH:19]=[CH:18][C:15]=1[CH:16]=O)([O:12][CH3:13])=[O:11]>>[C:2]([N+:6]([O-:7])=[CH:16][C:15]1[CH:18]=[CH:19][CH:20]=[CH:21][C:14]=1[P:10]([O:12][CH3:13])([O:9][CH3:8])=[O:11])([CH3:5])([CH3:4])[CH3:3]
2
N1C=CC2=CC(=CC=C12)C1=NN=C(S1)NC>>IC1=CNC2=CC=C(C=C12)C1=NN=C(S1)NC
5
N1N=CC2=CC(=CC=C12)NC1=NC(=NC2=CC=CC=C12)C=1C=C(OCC(=O)O)C=CC1>N(C)(C)C=O.ClCCl.C(C)(C)N(C(C)C)CC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>N1N=CC2=CC(=CC=C12)NC1=NC(=NC2=CC=CC=C12)C=1C=C(OCC(=O)NC)C=CC1
3
[CH2:1]([N:4]([C:21](=[O:30])[C:22]1[C:27]([F:28])=[CH:26][CH:25]=[CH:24][C:23]=1[F:29])[C:5]([N:7]([C:9]1[CH:14]=[CH:13][C:12]([S:15][C:16]([F:19])([F:18])[F:17])=[CH:11][C:10]=1[F:20])[CH3:8])=[O:6])[CH:2]=[CH2:3].ClC1C=CC=C(C(OO)=[O:39])C=1.C(OC)(C)(C)C>C(Cl)(Cl)Cl>[CH2:1]([N:4]([C:21](=[O:30])[C:22]1[C:27]([F:28])=...
2
CN(S(=O)(=O)Cl)C.N[C@@H]1CC[C@H](CC1)NC=1C=C(C=2N(N1)C(=CN2)C(=O)NC2=C(C=NC=C2)F)N(CC2=CC=C(C=C2)OC)C2CC2>>C1(CC1)NC=1C=2N(N=C(C1)N[C@@H]1CC[C@H](CC1)NS(N(C)C)(=O)=O)C(=CN2)C(=O)NC2=C(C=NC=C2)F
5
[CH3:1][C:2]1[CH:10]=[CH:9][CH:8]=[CH:7][C:3]=1[C:4](Cl)=[O:5].C([N:13](CC)CC)C.N[C:19]1[CH:40]=[CH:39][C:22]([C:23]([N:25]2[C:31]3[CH:32]=[CH:33][CH:34]=[CH:35][C:30]=3[N:29]3[CH:36]=[CH:37][CH:38]=[C:28]3[CH2:27][CH2:26]2)=[O:24])=[CH:21][CH:20]=1>C(Cl)Cl>[CH:35]1[C:30]2[N:29]3[CH:36]=[CH:37][CH:38]=[C:28]3[CH2:27][C...
1
OC1=CC=2C3=C(NC2C=C1)C(CC3)CC(=O)OCC.CS(=O)(=O)OCC1=CC(=C(C=C1)C1CC(CC1)=O)C(F)(F)F>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>O=C1CC(CC1)C1=C(C=C(COC2=CC=3C4=C(NC3C=C2)C(CC4)CC(=O)OCC)C=C1)C(F)(F)F
3
N(=[N+]=[N-])C1C(N(C2=C(C3=C1C=CC=C3)C=CC=N2)CCO[Si](C)(C)C(C)(C)C)=O>CCO[H].[HH].[Pd]>NC1C(N(C2=C(C3=C1C=CC=C3)C=CC=N2)CCO[Si](C)(C)C(C)(C)C)=O
3
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NC=1C=C(OCC(=O)O)C=CC1>>C(C)(C)(C)OC(=O)NC=1C=C(OCC(=O)O)C=CC1
5
C(C1=CC=CC=C1)Br.ClC1=C(C=C(C(=C1)Cl)[N+](=O)[O-])O>>C(C1=CC=CC=C1)OC1=C(C=C(C(=C1)[N+](=O)[O-])Cl)Cl
5
[CH3:1][O:2][C:3]1[C:8]([NH2:9])=[CH:7][C:6]([C:10]#[C:11][C:12]2[C:13]([CH3:24])=[N:14][CH:15]=[N:16][C:17]=2[N:18]2[CH2:23][CH2:22][O:21][CH2:20][CH2:19]2)=[CH:5][N:4]=1.[Cl:25][C:26]1[CH:31]=[CH:30][C:29]([S:32](Cl)(=[O:34])=[O:33])=[CH:28][CH:27]=1.N1C=CC=CC=1.O>C(Cl)Cl>[Cl:25][C:26]1[CH:31]=[CH:30][C:29]([S:32]([N...
1
COC1=C(C=C(C=C1)OC)Cl>>CC(=O)C1=C(C=C(C(=C1)OC)Cl)OC
5
C(C#C)(=O)OC(C)C>[I-].[Na+].C(C)(=O)O>I\C=C/C(=O)OC(C)C
3
COC1=CC=C(C=C1)B(O)O.ClC=1N=NC(=CC1)OC>C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+]>COC=1N=NC(=CC1)C1=CC=C(C=C1)OC
3
C(#N)C=1C(=NC(=NC1)S(=O)C)CC(=O)OCC.FC(CN)(C1=[N+](C=CC=C1)[O-])F>>C(#N)C=1C(=NC(=NC1)NCC(C1=[N+](C=CC=C1)[O-])(F)F)CC(=O)OCC
5
[CH3:1][N:2]1[CH2:9][C@H:8]2[N:10]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[C@H:4]([CH2:5][C:6]([C:18]([O:20][CH3:21])=[O:19])=[CH:7]2)[CH2:3]1.[H][H]>CO.[Pd]>[CH3:1][N:2]1[CH2:3][C@H:4]2[N:10]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[C@H:8]([CH2:7][CH:6]([C:18]([O:20][CH3:21])=[O:19])[C...
2
[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([N:9]2[CH2:14][CH2:13][N:12]([CH2:15][CH2:16][F:17])[C:11](=[O:18])[CH2:10]2)=[C:6]([F:8])[CH:7]=1.N1C=CC=CC=1.Cl[C:26]([O:28][CH2:29][C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)=[O:27]>ClCCl>[CH2:29]([O:28][C:26]([NH:1][C:2]1[CH:3]=[CH:4][C:5]([N:9]2[CH2:14][CH2:13][N:12]([CH2:15][CH...
1