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Dataset #190

[CH3:34][O:33][C:32]1[CH:31]=[C:30]2[C:25](=[CH:24][C:23]=1[O:22][CH3:21])[C:26]([C:2]1[CH:15]=[CH:14][C:5]([O:6][CH2:7][CH2:8][N:9]3[CH2:13][CH2:12][CH2:11][CH2:10]3)=[CH:4][CH:3]=1)=[CH:27][CH2:28][CH2:29]2
Reaction #943987
Yield 36.2%DOI: 10.6084/m9.figshare.5104873.v1
[OH:13][C:12]1[CH:11]=[C:10]2[C:5]([CH2:6][CH2:7][CH2:8][C:9]2=[O:15])=[CH:4][C:3]=1[O:2][CH3:1]
Reaction #943988
Yield 81.3%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:15]([O:1][C:2]1[CH:11]=[C:10]2[C:5]([CH2:6][CH2:7][CH2:8][C:9]2=[O:12])=[CH:4][C:3]=1[O:13][CH3:14])[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1
Reaction #943989
Yield 62.8%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:2][O:3][C:4]1[C:5]([O:34][CH3:35])=[CH:6][CH:7]=[C:8]2[C:13]=1[CH2:12][CH2:11][CH:10]([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)[CH:9]2[C:20]1[CH:25]=[CH:24][C:23]([O:26][CH2:27][CH2:28][N:29]2[CH2:33][CH2:32][CH2:31][CH2:30]2)=[CH:22][CH:21]=1
Reaction #943990
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:15]([O:1][C:2]1[C:11]([O:12][CH3:13])=[CH:10][CH:9]=[C:8]2[C:3]=1[CH2:4][CH2:5][CH2:6][C:7]2=[O:14])[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1
Reaction #943991
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:13][O:14][C:15]1[CH:21]=[CH:20][C:18]([N:19]=[CH:9][C:8]2[CH:11]=[CH:12][C:5]([S:2]([CH3:1])(=[O:4])=[O:3])=[CH:6][CH:7]=2)=[CH:17][CH:16]=1
Reaction #943992
Yield 95.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:1][C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[N:18][C:17]2[CH:19]=[CH:20][C:14]([S:10](=[O:13])(=[O:12])[NH2:11])=[CH:15][CH:16]=2)=[CH:4][CH:3]=1
Reaction #943993
Yield 63.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[N:18][C:17]2[CH:19]=[CH:20][C:14]([S:10](=[O:13])(=[O:12])[NH2:11])=[CH:15][CH:16]=2)=[CH:4][CH:3]=1
Reaction #943994
Yield 91.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:11]([C:12]3[CH:17]=[CH:16][C:15]([S:18](=[O:21])(=[O:20])[NH2:19])=[CH:14][CH:13]=3)[CH:22]=[CH:24][CH:9]=2)=[CH:4][CH:3]=1
Reaction #943995
Yield 13.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:13][C:14]1[CH:20]=[CH:19][C:17]([N:18]=[CH:9][C:8]2[CH:11]=[CH:12][C:5]([S:1](=[O:4])(=[O:3])[NH2:2])=[CH:6][CH:7]=2)=[CH:16][CH:15]=1
Reaction #943996
Yield 25.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:1][C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[N:16][C:15]2[CH:17]=[CH:18][C:12]([S:11][CH3:10])=[CH:13][CH:14]=2)=[CH:4][CH:3]=1
Reaction #943997
Yield 87.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[N:16][C:15]2[CH:17]=[CH:18][C:12]([S:11][CH3:10])=[CH:13][CH:14]=2)=[CH:4][CH:3]=1
Reaction #943998
Yield 94.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]=[N:11][C:12]2[CH:17]=[CH:16][C:15]([S:18][CH3:19])=[CH:14][CH:13]=2)=[CH:4][CH:3]=1
Reaction #943999
Yield 32.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3]1[CH:10]=[CH:9][C:6]([CH:7]=[N:17][C:16]2[CH:18]=[CH:19][C:13]([S:12][CH3:11])=[CH:14][CH:15]=2)=[CH:5][CH:4]=1
Reaction #944000
Yield 100.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([CH:9]=[N:12][C:13]2[CH:18]=[CH:17][C:16]([S:19][CH3:20])=[CH:15][CH:14]=2)=[CH:7][CH:8]=1
Reaction #944001
Yield 9.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[N:16][C:15]2[CH:17]=[CH:18][C:12]([S:11][CH3:10])=[CH:13][CH:14]=2)=[CH:4][CH:3]=1
Reaction #944002
Yield 96.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]1[CH:3]=[CH:4][C:5]([CH:6]([NH:7][C:8]2[CH:13]=[CH:12][C:11]([S:14][CH3:15])=[CH:10][CH:9]=2)[C:22]#[N:23])=[CH:16][CH:17]=1
Reaction #944003
Yield 73.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:1][CH:2]([F:12])[O:3][C:4]1[CH:11]=[CH:10][C:7]([CH:8]=[N:19][C:18]2[CH:20]=[CH:21][C:15]([S:14][CH3:13])=[CH:16][CH:17]=2)=[CH:6][CH:5]=1
Reaction #944004
Yield 91.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:20][CH:2]([F:1])[O:3][C:4]1[CH:19]=[CH:18][C:7]([CH:8]([NH:9][C:10]2[CH:15]=[CH:14][C:13]([S:16][CH3:17])=[CH:12][CH:11]=2)[C:25]#[N:26])=[CH:6][CH:5]=1
Reaction #944005
Yield 80.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:24][CH:2]([F:1])[O:3][C:4]1[CH:5]=[CH:6][C:7]([CH:10]([NH:13][C:14]2[CH:19]=[CH:18][C:17]([S:20][CH3:23])=[CH:16][CH:15]=2)[C:11]#[N:12])=[CH:8][CH:9]=1
Reaction #944006
Yield 31.0%DOI: 10.6084/m9.figshare.5104873.v1
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