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Dataset #133

[N+:22]([C:25]1[CH:26]=[CH:27][C:28]([C:29]([O:15][CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])=[O:30])=[CH:32][CH:33]=1)([O-:24])=[O:23]
Reaction #586078
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:1][C:4]1[CH:5]=[CH:6][C:7]([C:8]([O:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])=[O:9])=[CH:25][CH:26]=1
Reaction #586079
Yield 65.2%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([NH:19][C:37]1[N:39]=[C:40]([NH:19][CH2:1][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][CH3:18])[N:42]=[C:43]([NH:19][CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:31][CH2:32][CH2:28][CH2:27][CH3:26])[N:36]=1)[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][CH3:18]
Reaction #586080
DOI: 10.6084/m9.figshare.5104873.v1
[F:14][C:15]([F:23])([S:19]([O-:22])(=[O:21])=[O:20])[CH:16]([F:18])[F:17]
Reaction #586081
DOI: 10.6084/m9.figshare.5104873.v1
[F:20][C:21]([F:29])([S:25]([O-:28])(=[O:27])=[O:26])[CH:22]([F:24])[F:23]
Reaction #586082
DOI: 10.6084/m9.figshare.5104873.v1
[F:24][C:25]([F:33])([S:29]([O-:32])(=[O:31])=[O:30])[CH:26]([F:28])[F:27]
Reaction #586083
DOI: 10.6084/m9.figshare.5104873.v1
[F:25][C:13]([F:12])([S:21]([O-:24])(=[O:23])=[O:22])[CH:14]([F:20])[O:15][C:16]([F:18])([F:17])[F:19]
Reaction #586084
Yield 67.8%DOI: 10.6084/m9.figshare.5104873.v1
[F:30][C:15]([F:14])([S:26]([O-:29])(=[O:27])=[O:28])[CH:16]([F:25])[O:17][C:18]([F:23])([F:24])[C:19]([F:20])([F:22])[F:21]
Reaction #586085
Yield 62.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:6][CH2:7][C:8]([N:1]1[CH2:5][CH2:4][CH2:3][CH2:2]1)=[O:9]
Reaction #586086
Yield 85.4%DOI: 10.6084/m9.figshare.5104873.v1
[OH:40][CH2:41][C:42]1([CH2:46][OH:47])[C:36]2[C:35](=[CH:34][CH:33]=[C:32]([CH2:31][C:28]([OH:30])=[O:29])[CH:37]=2)[N:38]=[C:43]1[CH3:44]
Reaction #586087
DOI: 10.6084/m9.figshare.5104873.v1
[Br:22][C:23]1[CH:24]=[C:25]([CH:29]=[C:30]2[CH:35]([OH:36])[CH:34]3[CH2:37][CH2:38][N:31]2[CH2:32][CH2:33]3)[CH:26]=[N:27][CH:28]=1
Reaction #586088
DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:10]=[C:6]([CH2:7][OH:8])[CH:5]=[N:4][CH:3]=1
Reaction #586089
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:17]=[C:13]1[CH:12]2[CH2:15][CH2:16][N:9]([CH2:10][CH2:11]2)[CH:8]1[CH2:7][C:3]1[CH:2]=[N:1][CH:6]=[CH:5][CH:4]=1
Reaction #586090
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:22][CH:13]1[CH:12]2[CH2:15][CH2:16][N:9]([CH2:10][CH2:11]2)[CH:8]1[CH2:7][C:3]1[CH:2]=[N:1][CH:6]=[CH:5][CH:4]=1
Reaction #586091
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:19][NH:20][CH:13]1[CH:12]2[CH2:15][CH2:16][N:9]([CH2:10][CH2:11]2)[CH:8]1[CH2:7][C:3]1[CH:2]=[N:1][CH:6]=[CH:5][CH:4]=1
Reaction #586092
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:44][O:43][CH:50]1[CH:55]2[CH2:56][CH2:57][N:52]([CH2:53][CH2:54]2)[C:51]1=[CH:58][C:59]1[CH:60]=[N:61][CH:62]=[CH:63][CH:64]=1
Reaction #586093
DOI: 10.6084/m9.figshare.5104873.v1
[N:13]1[CH:18]=[CH:17][CH:16]=[C:15]([CH:19]=[C:5]2[C:6](=[O:12])[CH:7]3[CH2:10][CH2:11][N:4]2[CH2:9][CH2:8]3)[CH:14]=1
Reaction #586094
Yield 76.2%DOI: 10.6084/m9.figshare.5104873.v1
[ClH:17]
Reaction #586095
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:27][CH:13]1[CH:12]2[CH2:15][CH2:16][N:9]([CH2:10][CH2:11]2)[CH:8]1[CH2:7][C:3]1[CH:2]=[N:1][CH:6]=[CH:5][CH:4]=1
Reaction #586096
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:20][CH2:19][CH:13]1[CH:12]2[CH2:15][CH2:16][N:9]([CH2:10][CH2:11]2)[CH:8]1[CH2:7][C:3]1[CH:2]=[N:1][CH:6]=[CH:5][CH:4]=1
Reaction #586097
Yield 83.0%DOI: 10.6084/m9.figshare.5104873.v1
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