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Dataset #62

[CH3:15][O:14][C:2]1[CH:1]=[C:13]2[C:5]([C:6]3[CH:7]=[CH:8][C:9]([C:16](=[O:18])[CH3:17])=[CH:10][C:11]=3[CH2:12]2)=[CH:4][CH:3]=1
Reaction #355752
DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:3]=[C:4]2[C:12]([C:11]3[CH:10]=[CH:9][C:8]([C:15](=[O:17])[CH3:16])=[CH:7][C:6]=3[CH2:5]2)=[CH:13][CH:14]=1
Reaction #355753
DOI: 10.6084/m9.figshare.5104873.v1
[O:33]1[CH2:32][CH:30]1[CH2:31][N:7]([C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1)[N:8]=[CH:20][C:19]1[CH:18]=[CH:17][C:16]([N:15]([C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)[C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)=[CH:23][CH:22]=1
Reaction #355754
DOI: 10.6084/m9.figshare.5104873.v1
[C:18]1([NH:24][N:25]=[CH:16][C:12]2[CH:13]=[CH:14][C:15]3[N:3]([CH2:1][CH3:2])[C:4]4[C:9]([C:10]=3[CH:11]=2)=[CH:8][CH:7]=[CH:6][CH:5]=4)[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1
Reaction #355755
DOI: 10.6084/m9.figshare.5104873.v1
[C:2]1([N:8]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)[N:9]=[CH:23][C:22]2[CH:25]=[CH:26][C:19]([N:18]([CH2:28][CH3:29])[CH2:16][CH3:17])=[CH:20][C:21]=2[OH:27])[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
Reaction #355756
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:11]([N:13]1[C:25]2[CH:24]=[CH:23][C:22]([CH:26]=[N:2][NH2:3])=[CH:21][C:20]=2[C:19]2[C:14]1=[CH:15][CH:16]=[CH:17][CH:18]=2)[CH3:12]
Reaction #355757
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:16]([N:13]1[C:14]2[CH:1]=[CH:2][CH:3]=[CH:4][C:5]=2[S:6][C:7]2[C:12]1=[CH:11][CH:10]=[CH:9][CH:8]=2)[CH3:17]
Reaction #355758
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:6]([N:8]1[C:9]2[CH:10]=[CH:11][C:12]([CH:26]=[O:27])=[CH:13][C:14]=2[S:15][C:16]2[C:21]1=[CH:20][CH:19]=[CH:18][CH:17]=2)[CH3:7]
Reaction #355759
DOI: 10.6084/m9.figshare.5104873.v1
[C:19]1([NH:25][N:26]=[CH:17][C:13]2[CH:14]=[CH:15][C:16]3[N:3]([CH2:1][CH3:2])[C:4]4[C:9]([S:10][C:11]=3[CH:12]=2)=[CH:8][CH:7]=[CH:6][CH:5]=4)[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1
Reaction #355760
DOI: 10.6084/m9.figshare.5104873.v1
[Sn:3]([Cl:7])([Cl:6])([Cl:5])[Cl:4]
Reaction #355761
DOI: 10.6084/m9.figshare.5104873.v1
[O:42]=[CH:43][CH2:44][C@:45]([C@H:46]([C@H:47]([CH3:49])[OH:48])[OH:50])([O:52][CH3:53])[CH3:51]
Reaction #355762
Yield 108.6%DOI: 10.6084/m9.figshare.5104873.v1
[Br:21][C:11]1[CH:12]=[C:7]([C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][N:1]=2)[N:8]=[C:9]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][N:15]=2)[CH:10]=1
Reaction #355763
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:9][C:10]([CH3:28])([CH3:27])[CH2:11][CH2:12][O:13][C:14]1[CH:19]=[CH:18][CH:17]=[C:16]([O:20][CH2:21][CH2:22][C:23]([CH3:26])([CH3:25])[CH3:24])[C:15]=1[CH:37]=[O:38]
Reaction #355764
Yield 90.8%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:11]([O:12][P:101]([OH:103])([OH:102])=[O:100])[C@H:9]1[O:10][C@@H:2]([OH:1])[C@H:3]([OH:4])[C@@H:5]([OH:6])[C@@H:7]1[OH:8]
Reaction #355765
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:24]([N:23]1[C:19]([C:17]2[CH:16]=[CH:15][N:14]=[C:13]([NH:6][C:7]3[CH:12]=[CH:11][C:10]([S:2](=[O:5])(=[O:3])[NH:33][CH2:32][CH2:31][O:30][CH3:29])=[CH:9][CH:8]=3)[N:18]=2)=[C:20]([CH3:28])[N:21]=[C:22]1[CH2:26][CH3:27])[CH3:25]
Reaction #355766
Yield 40.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:7]1[N:6]=[C:5]([CH3:30])[N:4]([CH3:3])[C:8]=1[C:9]1[CH:14]=[CH:13][N:12]=[C:11]([NH:15][C:16]2[CH:17]=[CH:18][C:19]([S:22](=[O:29])(=[O:28])[NH:23][CH2:24][CH2:25][O:26][CH3:27])=[CH:20][CH:21]=2)[N:10]=1
Reaction #355767
Yield 24.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:15][N:17]([CH3:19])[CH:18]=[CH:2][C:1]([C:4]1[N:8]([CH:9]([CH3:11])[CH3:10])[C:7]([CH3:12])=[N:6][C:5]=1[CH3:13])=[O:3]
Reaction #355768
Yield 13.0%DOI: 10.6084/m9.figshare.5104873.v1
[NH:27]([C:28]1[N:30]=[C:5]([C:7]2[N:11]([CH2:12][CH3:13])[C:10]([CH3:14])=[N:9][C:8]=2[CH3:15])[CH:4]=[CH:3][N:29]=1)[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1
Reaction #355769
Yield 70.0%DOI: 10.6084/m9.figshare.5104873.v1
[NH:1]([C:8]1[N:13]=[C:12]([C:14]2[N:18]([CH2:19][CH3:20])[C:17]([CH2:21][CH3:23])=[N:16][C:15]=2[CH3:22])[CH:11]=[CH:10][N:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
Reaction #355770
Yield 13.0%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:62][C@H:58]([C:57]([OH:29])=[O:28])[CH2:59][CH2:72][C:73](=[O:74])[NH2:14]
Reaction #355771
DOI: 10.6084/m9.figshare.5104873.v1
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