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Dataset #244

[N:2]1[C:12]2[C:15](=[CH:16][CH:17]=[CH:18][C:23]=2[O-:24])[CH:14]=[CH:13][CH:1]=1
Reaction #1153141
DOI: 10.6084/m9.figshare.5104873.v1
[NH3:1]
Reaction #1153142
DOI: 10.6084/m9.figshare.5104873.v1
[CH:18]1[C:17]([C:15]2[CH:14]=[CH:7][C:6]3[C:5]([OH:13])=[CH:4][C:3]([OH:2])=[CH:10][C:9]=3[O+:16]=2)=[CH:22][CH:21]=[C:20]([OH:23])[CH:19]=1
Reaction #1153143
DOI: 10.6084/m9.figshare.5104873.v1
[Cl-:1]
Reaction #1153144
Yield 75.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH:24]1[CH:25]=[C:26]2[C:17]([C:15]3[C:14]([NH:20][C:21]2=[CH:22][CH:23]=1)=[CH:13][C:9]1[C:10]([C:7]2[C:2]([NH:1][C:8]=1[CH:16]=3)=[CH:3][CH:4]=[CH:5][CH:6]=2)=[O:11])=[O:18]
Reaction #1153145
DOI: 10.6084/m9.figshare.5104873.v1
[CH:24]1[CH:25]=[C:26]2[C:17]([C:15]3[C:14]([NH:20][C:21]2=[CH:22][CH:23]=1)=[CH:13][C:9]1[C:10]([C:7]2[C:2]([NH:1][C:8]=1[CH:16]=3)=[CH:3][CH:4]=[CH:5][CH:6]=2)=[O:11])=[O:18]
Reaction #1153146
DOI: 10.6084/m9.figshare.5104873.v1
[CH:24]1[CH:25]=[C:26]2[C:17]([C:15]3[C:14]([NH:20][C:21]2=[CH:22][CH:23]=1)=[CH:13][C:9]1[C:10]([C:7]2[C:2]([NH:1][C:8]=1[CH:16]=3)=[CH:3][CH:4]=[CH:5][CH:6]=2)=[O:11])=[O:18]
Reaction #1153147
DOI: 10.6084/m9.figshare.5104873.v1
[CH:24]1[CH:25]=[C:26]2[C:17]([C:15]3[C:14]([NH:20][C:21]2=[CH:22][CH:23]=1)=[CH:13][C:9]1[C:10]([C:7]2[C:2]([NH:1][C:8]=1[CH:16]=3)=[CH:3][CH:4]=[CH:5][CH:6]=2)=[O:11])=[O:18]
Reaction #1153148
DOI: 10.6084/m9.figshare.5104873.v1
[CH:24]1[CH:25]=[C:26]2[C:17]([C:15]3[C:14]([NH:20][C:21]2=[CH:22][CH:23]=1)=[CH:13][C:9]1[C:10]([C:7]2[C:2]([NH:1][C:8]=1[CH:16]=3)=[CH:3][CH:4]=[CH:5][CH:6]=2)=[O:11])=[O:18]
Reaction #1153149
DOI: 10.6084/m9.figshare.5104873.v1
[CH:24]1[CH:25]=[C:26]2[C:17]([C:15]3[C:14]([NH:20][C:21]2=[CH:22][CH:23]=1)=[CH:13][C:9]1[C:10]([C:7]2[C:2]([NH:1][C:8]=1[CH:16]=3)=[CH:3][CH:4]=[CH:5][CH:6]=2)=[O:11])=[O:18]
Reaction #1153150
DOI: 10.6084/m9.figshare.5104873.v1
[CH:1]1[CH:6]=[C:5]2[C:10]([C:9]3[C:8]([NH:7][C:4]2=[CH:3][CH:2]=1)=[CH:16][C:15]1[C:37]([C:36]2[C:35]([NH:34][C:14]=1[CH:13]=3)=[CH:43][CH:42]=[CH:41][CH:40]=2)=[O:38])=[O:11]
Reaction #1153151
DOI: 10.6084/m9.figshare.5104873.v1
[CH:50]1[CH:51]=[C:52]2[C:43]([C:41]3[C:40]([NH:46][C:47]2=[CH:48][CH:49]=1)=[CH:39][C:35]1[C:36]([C:31]2[C:32]([NH:33][C:34]=1[CH:42]=3)=[CH:54][CH:55]=[CH:56][CH:30]=2)=[O:37])=[O:45]
Reaction #1153152
DOI: 10.6084/m9.figshare.5104873.v1
[CH:24]1[CH:25]=[C:26]2[C:17]([C:15]3[C:14]([NH:20][C:21]2=[CH:22][CH:23]=1)=[CH:13][C:9]1[C:10]([C:7]2[C:2]([NH:1][C:8]=1[CH:16]=3)=[CH:3][CH:4]=[CH:5][CH:6]=2)=[O:11])=[O:18]
Reaction #1153153
DOI: 10.6084/m9.figshare.5104873.v1
[S:2]([O-:6])([O-:5])(=[O:4])=[O:3]
Reaction #1153154
DOI: 10.6084/m9.figshare.5104873.v1
[Cl-:23]
Reaction #1153155
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:18]([O:17][C:15]([NH:1][C@H:2]1[CH2:7][CH2:6][CH2:5][NH:4][C@H:3]1[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)=[O:16])[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1
Reaction #1153156
Yield 80.2%DOI: 10.6084/m9.figshare.5104873.v1
[ClH:52]
Reaction #1153157
DOI: 10.6084/m9.figshare.5104873.v1
[F:23][C:20]([F:21])([F:22])[C:19]1[N:15]([C:12]2[CH:11]=[CH:10][C:9]([OH:8])=[CH:14][CH:13]=2)[N:16]=[N:17][N:18]=1
Reaction #1153158
DOI: 10.6084/m9.figshare.5104873.v1
[OH:14][C:11]1[CH:10]=[CH:9][C:8]([N:7]2[C:3]([C:2]([F:1])([F:15])[F:16])=[N:4][N:5]=[N:6]2)=[CH:13][C:12]=1[CH:19]=[O:20]
Reaction #1153159
Yield 66.4%DOI: 10.6084/m9.figshare.5104873.v1
[F:3][CH2:2][O:4][C:5]1[CH:12]=[CH:11][C:10]([N:13]2[C:17]([C:18]([F:21])([F:20])[F:19])=[N:16][N:15]=[N:14]2)=[CH:9][C:6]=1[CH:7]=[O:8]
Reaction #1153160
DOI: 10.6084/m9.figshare.5104873.v1
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