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Dataset #345

[F:12][C:13]1[C:18]([CH2:19][NH:1][C:2]2[CH:10]=[C:6]([C:7]([OH:9])=[O:8])[C:5]([OH:11])=[CH:4][CH:3]=2)=[C:17]([F:21])[C:16]([F:22])=[C:15]([F:23])[C:14]=1[F:24]
Reaction #1597000
Yield 60.0%DOI: 10.6084/m9.figshare.5104873.v1
[N+:12]([C:15]1[CH:16]=[CH:17][C:18]([C:19]([NH:1][C:2]2[CH:10]=[C:6]([C:7]([OH:9])=[O:8])[C:5]([OH:11])=[CH:4][CH:3]=2)=[O:20])=[CH:22][CH:23]=1)([O-:14])=[O:13]
Reaction #1597001
Yield 56.0%DOI: 10.6084/m9.figshare.5104873.v1
[N+:12]([C:15]1[CH:23]=[CH:22][C:18]([CH2:19][CH2:20][NH:1][C:2]2[CH:10]=[C:6]([C:7]([OH:9])=[O:8])[C:5]([OH:11])=[CH:4][CH:3]=2)=[CH:17][CH:16]=1)([O-:14])=[O:13]
Reaction #1597002
Yield 90.3%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:19]([NH:1][C:2]1[CH:10]=[C:6]([C:7]([OH:9])=[O:8])[C:5]([OH:11])=[CH:4][CH:3]=1)[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1
Reaction #1597003
Yield 113.8%DOI: 10.6084/m9.figshare.5104873.v1
[N+:12]([C:15]1[CH:22]=[CH:21][C:18]([CH2:19][NH:1][C:2]2[CH:10]=[C:6]([C:7]([OH:9])=[O:8])[C:5]([OH:11])=[CH:4][CH:3]=2)=[CH:17][CH:16]=1)([O-:14])=[O:13]
Reaction #1597004
Yield 79.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:12][C:13]1[CH:20]=[CH:19][C:16]([CH2:17][NH:1][C:2]2[CH:10]=[C:6]([C:7]([OH:9])=[O:8])[C:5]([OH:11])=[CH:4][CH:3]=2)=[CH:15][CH:14]=1
Reaction #1597005
Yield 53.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:12][C:13]([F:22])([F:23])[C:14]1[CH:21]=[CH:20][C:17]([CH2:18][NH:1][C:2]2[CH:10]=[C:6]([C:7]([OH:9])=[O:8])[C:5]([OH:11])=[CH:4][CH:3]=2)=[CH:16][CH:15]=1
Reaction #1597006
Yield 50.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:12][C:13]1[CH:20]=[CH:19][C:16]([CH2:17][NH:1][C:2]2[CH:10]=[C:6]([C:7]([OH:9])=[O:8])[C:5]([OH:11])=[CH:4][CH:3]=2)=[CH:15][CH:14]=1
Reaction #1597007
Yield 56.4%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:12][O:13][C:14]1[CH:21]=[CH:20][C:17]([CH2:18][NH:1][C:2]2[CH:10]=[C:6]([C:7]([OH:9])=[O:8])[C:5]([OH:11])=[CH:4][CH:3]=2)=[CH:16][CH:15]=1
Reaction #1597008
Yield 50.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:12][C:13]1[C:18]([CH2:19][NH:1][C:2]2[CH:10]=[C:6]([C:7]([OH:9])=[O:8])[C:5]([OH:11])=[CH:4][CH:3]=2)=[C:17]([F:21])[C:16]([F:22])=[C:15]([F:23])[C:14]=1[F:24]
Reaction #1597009
Yield 60.0%DOI: 10.6084/m9.figshare.5104873.v1
[N+:12]([C:15]1[CH:16]=[CH:17][C:18]([C:19]([NH:1][C:2]2[CH:10]=[C:6]([C:7]([OH:9])=[O:8])[C:5]([OH:11])=[CH:4][CH:3]=2)=[O:20])=[CH:22][CH:23]=1)([O-:14])=[O:13]
Reaction #1597010
Yield 56.0%DOI: 10.6084/m9.figshare.5104873.v1
[N+:12]([C:15]1[CH:23]=[CH:22][C:18]([CH2:19][CH2:20][NH:1][C:2]2[CH:10]=[C:6]([C:7]([OH:9])=[O:8])[C:5]([OH:11])=[CH:4][CH:3]=2)=[CH:17][CH:16]=1)([O-:14])=[O:13]
Reaction #1597011
Yield 90.3%DOI: 10.6084/m9.figshare.5104873.v1
[N+:12]([C:15]1[CH:20]=[CH:19][C:18]([CH2:21][CH2:22][CH2:23][NH:1][C:2]2[CH:10]=[C:6]([C:7]([OH:9])=[O:8])[C:5]([OH:11])=[CH:4][CH:3]=2)=[CH:17][CH:16]=1)([O-:14])=[O:13]
Reaction #1597012
Yield 50.4%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][N:10]([CH3:12])[CH3:11]
Reaction #1597013
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:3]([N:17]1[O:55][C:53](=[O:54])[NH:38][C:20]1=[O:24])[C@H:2]([NH2:1])[C:8]([OH:10])=[O:9]
Reaction #1597014
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:11][C:12]1[CH:18]=[C:17]([N+:19]([O-:21])=[O:20])[CH:16]=[CH:15][C:13]=1[NH:14][C:1](=[O:10])[C:2]1[CH:8]=[CH:7][CH:6]=[CH:5][C:3]=1[OH:4]
Reaction #1597015
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[C:3]([OH:12])=[C:4]([CH:8]=[C:9]([Cl:11])[CH:10]=1)[C:5]([NH:16][C:15]1[CH:17]=[CH:18][C:19]([N+:21]([O-:23])=[O:22])=[CH:20][C:14]=1[Cl:13])=[O:7]
Reaction #1597016
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([OH:11])=[C:6]([CH:10]=1)[C:7]([NH:17][C:16]1[CH:18]=[CH:19][CH:20]=[C:14]([CH:12]=[CH2:13])[CH:15]=1)=[O:9]
Reaction #1597017
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([OH:11])=[C:6]([CH:10]=1)[C:7]([NH:17][C:16]1[CH:18]=[CH:19][CH:20]=[C:14]([CH2:12][CH3:13])[CH:15]=1)=[O:9]
Reaction #1597018
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([OH:11])=[C:6]([CH:10]=1)[C:7]([NH:20][C:16]1[CH:17]=[CH:18][CH:19]=[C:14]([O:13][CH3:12])[CH:15]=1)=[O:9]
Reaction #1597019
DOI: 10.6084/m9.figshare.5104873.v1
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