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Dataset #492

[C:22]([N:26]1[CH2:31][CH2:30][O:29][CH2:28][CH2:27]1)(=[O:25])[CH:23]=[CH2:24]
Reaction #2171025
DOI: 10.6084/m9.figshare.5104873.v1
[C:11]([CH2:13][CH2:14][NH:15][N:16]=[CH:9][C:3]1[CH:4]=[CH:5][C:6]([CH:7]=[N:16][NH:15][CH2:14][CH2:13][C:11]#[N:12])=[CH:1][CH:2]=1)#[N:12]
Reaction #2171026
DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[C:6]([N+:7]([O-:9])=[O:8])=[C:5]([Br:10])[N:4]([CH2:27][C:23]2[CH:24]=[CH:25][CH:26]=[C:21]([CH2:20][N:3]3[C:2]([Br:1])=[C:6]([N+:7]([O-:9])=[O:8])[C:5]([Br:10])=[N:4]3)[CH:22]=2)[N:3]=1
Reaction #2171027
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:29]([NH:36][C:23]1[N:19]([CH2:18][C:14]2[CH:15]=[CH:16][CH:17]=[C:12]([CH2:11][N:4]3[C:5]([NH:4][CH2:11][C:12]4[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=4)=[C:6]([N+:7]([O-:9])=[O:8])[C:2]([Br:1])=[N:3]3)[CH:13]=2)[N:20]=[C:21]([Br:28])[C:22]=1[N+:25]([O-:27])=[O:26])[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1
Reaction #2171028
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:24]([NH:31][C:18]1[N:14]([CH2:13][CH2:12][CH2:11][N:4]2[C:5]([NH:31][CH2:24][C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=3)=[C:6]([N+:7]([O-:9])=[O:8])[C:2]([Br:1])=[N:3]2)[N:15]=[C:16]([Br:23])[C:17]=1[N+:20]([O-:22])=[O:21])[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1
Reaction #2171029
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([NH:8][C:9]1[N:13]([CH2:14][CH2:15][CH2:16][N:17]2[C:21]([NH:22][CH2:23][C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)=[C:20]([N+:30]([O-:32])=[O:31])[C:19]([C:38]3[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=3)=[N:18]2)[N:12]=[C:11]([C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[C:10]=1[N+:35]([O-:37])=[O:36])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
Reaction #2171030
Yield 81.8%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:8][C:5]1[CH:4]=[C:3]2[C:2](=[CH:7][CH:6]=1)[N:1]=[C:18]([C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)[C:16]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)=[N:9]2
Reaction #2171031
DOI: 10.6084/m9.figshare.5104873.v1
[Br:31][CH2:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)[C:6]([C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)=[N:5]2
Reaction #2171032
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 #2171033
DOI: 10.6084/m9.figshare.5104873.v1
[CH:5]1[C:6]([C@H:7]2[CH2:8][O:9][C:10]3[CH:11]=[C:12]([OH:18])[CH:13]=[CH:14][C:15]=3[CH2:16]2)=[CH:1][CH:2]=[C:3]([OH:19])[CH:4]=1
Reaction #2171034
DOI: 10.6084/m9.figshare.5104873.v1
[Br:10][C:7]1[CH:8]=[C:2]([F:1])[C:3]([NH2:4])=[C:5]([F:9])[CH:6]=1
Reaction #2171035
Yield 91.7%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:11]([N:6]([CH2:11][C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)[C:5]1[C:7]([F:9])=[CH:8][C:2]([Br:1])=[CH:3][C:4]=1[F:10])[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1
Reaction #2171036
Yield 85.6%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][CH:33]1[CH2:34][CH2:35][CH:30]([CH:27]2[CH2:28][CH2:29][CH:24]([CH2:22][CH3:23])[CH2:25][CH2:26]2)[CH2:31][CH2:32]1
Reaction #2171037
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:28]([CH:25]1[CH2:24][CH2:23][CH:22]([CH:19]2[CH2:20][CH2:21][CH:16]([C:12]3[CH:11]=[C:10]([F:30])[C:9]([NH2:8])=[C:14]([F:15])[CH:13]=3)[CH2:17][CH2:18]2)[CH2:27][CH2:26]1)[CH3:29]
Reaction #2171038
DOI: 10.6084/m9.figshare.5104873.v1
[F:35][C:29]1[CH:28]=[C:27]([CH:24]2[CH2:25][CH2:26][CH:21]([CH:18]3[CH2:17][CH2:16][CH:15]([CH2:13][CH3:14])[CH2:20][CH2:19]3)[CH2:22][CH2:23]2)[CH:32]=[C:31]([F:33])[C:30]=1[N:34]=[C:6]=[S:7]
Reaction #2171039
Yield 59.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:31][C:29]1[CH:30]=[C:25]([CH:22]2[CH2:21][CH2:20][CH:19]([CH:16]3[CH2:17][CH2:18][CH:13]([CH2:10][CH2:11][CH3:12])[CH2:14][CH2:15]3)[CH2:24][CH2:23]2)[CH:26]=[C:27]([F:33])[C:28]=1[N:32]=[C:1]=[S:2]
Reaction #2171040
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([O:5][C:6]1[CH:7]=[CH:8][C:9]([CH:10]=[CH2:11])=[CH:12][CH:13]=1)([CH3:4])([CH3:2])[CH3:3]
Reaction #2171041
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([O:5][C:6]1[CH:7]=[CH:8][C:9]([CH:10]=[CH2:11])=[CH:12][CH:13]=1)([CH3:4])([CH3:2])[CH3:3]
Reaction #2171042
DOI: 10.6084/m9.figshare.5104873.v1
[CH:10]([O:1][CH2:2][CH3:9])=[CH2:11]
Reaction #2171043
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([O:5][C:6]1[CH:7]=[CH:8][C:9]([CH:10]=[CH2:11])=[CH:12][CH:13]=1)([CH3:4])([CH3:2])[CH3:3]
Reaction #2171044
DOI: 10.6084/m9.figshare.5104873.v1
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