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Dataset #464

[CH3:14][C:15]1[CH:24]=[CH:23][C:22]2[C:21]3[N:7]([C:6]4[CH:1]=[CH:2][C:3]([S:9]([NH2:12])(=[O:10])=[O:11])=[CH:4][CH:5]=4)[N:8]=[C:26]([C:27]([F:28])([F:29])[F:30])[C:20]=3[CH2:19][CH2:18][C:17]=2[CH:16]=1
Reaction #2028885
Yield 64.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:7]1[CH2:8][C:9](=[O:11])[C:3]2[CH:4]=[CH:5][S:1][C:2]=2[CH2:6]1
Reaction #2028886
Yield 88.9%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:6][C:7]1[CH:12]=[CH:11][C:10]([C:13](=[O:15])[CH2:14][CH:1]=[O:2])=[CH:9][CH:8]=1
Reaction #2028887
Yield 100.2%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:19]([C:18]3[CH:13]=[CH:14][C:15]([S:21]([NH2:24])(=[O:23])=[O:22])=[CH:16][CH:17]=3)[N:20]=[CH:10][CH:9]=2)=[CH:4][CH:3]=1
Reaction #2028888
Yield 25.2%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[N:12]([C:13]3[CH:18]=[CH:17][C:16]([S:19]([NH2:22])(=[O:21])=[O:20])=[CH:15][CH:14]=3)[N:11]=[CH:10][C:9]=2[Cl:23])=[CH:6][CH:7]=1
Reaction #2028889
Yield 78.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12]([C:13]3[CH:14]=[CH:15][C:16]([S:19]([NH2:22])(=[O:21])=[O:20])=[CH:17][CH:18]=3)[N:11]=[C:10]([C:23]([F:24])([F:25])[F:26])[C:9]=2[Cl:31])=[CH:4][CH:3]=1
Reaction #2028890
Yield 75.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:27][CH2:1][C:2]1[C:3]([C:23]([F:26])([F:24])[F:25])=[N:4][N:5]([C:13]2[CH:14]=[CH:15][C:16]([S:19]([NH2:22])(=[O:21])=[O:20])=[CH:17][CH:18]=2)[C:6]=1[C:7]1[CH:8]=[CH:9][CH:10]=[CH:11][CH:12]=1
Reaction #2028891
DOI: 10.6084/m9.figshare.5104873.v1
[CH:2]([C:3]1[C:4]([C:24]([F:27])([F:26])[F:25])=[N:5][N:6]([C:14]2[CH:19]=[CH:18][C:17]([S:20]([NH2:23])(=[O:22])=[O:21])=[CH:16][CH:15]=2)[C:7]=1[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)=[O:39]
Reaction #2028892
Yield 66.0%DOI: 10.6084/m9.figshare.5104873.v1
[OH:2][CH2:1][C:3]1[C:4]([C:24]([F:25])([F:27])[F:26])=[N:5][N:6]([C:14]2[CH:19]=[CH:18][C:17]([S:20]([NH2:23])(=[O:21])=[O:22])=[CH:16][CH:15]=2)[C:7]=1[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1
Reaction #2028893
Yield 46.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:17]([O:25][CH2:6][CH2:7][N:3]([CH3:1])[CH3:4])(=[O:18])[C:16]([CH3:20])=[CH2:15]
Reaction #2028894
DOI: 10.6084/m9.figshare.5104873.v1
[C:17]([O:25][CH2:6][CH2:7][N:3]([CH3:1])[CH3:4])(=[O:18])[C:16]([CH3:20])=[CH2:15]
Reaction #2028895
DOI: 10.6084/m9.figshare.5104873.v1
[OH:9][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][C:1]([OH:7])=[O:8]
Reaction #2028896
DOI: 10.6084/m9.figshare.5104873.v1
[Br-:1]
Reaction #2028897
Yield 226.1%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:8]([C@H:11]1[CH2:16][CH2:15][C@H:14]([C:17]([Cl:22])=[O:19])[CH2:13][CH2:12]1)[CH2:9][CH3:10]
Reaction #2028898
Yield 98.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:29]([O:28][C:25](=[O:27])[CH2:26][C:22](=[O:23])[C@H:19]1[CH2:20][CH2:21][C@H:16]([CH2:13][CH2:14][CH3:15])[CH2:17][CH2:18]1)[CH3:30]
Reaction #2028899
Yield 91.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:13]([C@H:10]1[CH2:11][CH2:12][C@H:7]([CH:6]([OH:16])[CH2:5][CH2:4][OH:3])[CH2:8][CH2:9]1)[CH2:14][CH3:15]
Reaction #2028900
Yield 73.6%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:16]([C@H:6]1[CH2:11][CH2:10][C@H:9]([CH:21]2[CH2:17][CH2:19][O:20]2)[CH2:8][CH2:7]1)[CH2:1][CH3:2]
Reaction #2028901
Yield 70.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:6]([O:8][C:9]1([CH:3]=[O:4])[CH:14]=[CH:13][C:12]([C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([F:21])[C:16]=2[F:22])=[C:11]([F:23])[CH:10]1[F:24])[CH3:7]
Reaction #2028902
Yield 70.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:35]([O:37][C:38]1[CH:43]=[CH:42][C:41]([C:44]2[CH:49]=[CH:48][C:47]([CH:2]=[CH:3][O:4][CH3:5])=[C:46]([F:50])[C:45]=2[F:51])=[C:40]([F:52])[C:39]=1[F:53])[CH3:36]
Reaction #2028903
Yield 94.5%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([O:3][C:4]1[CH:9]=[CH:8][C:7]([C:10]2[CH:15]=[CH:14][C:13]([CH2:16][CH:17]=[O:18])=[C:12]([F:20])[C:11]=2[F:21])=[C:6]([F:22])[C:5]=1[F:23])[CH3:2]
Reaction #2028904
Yield 97.2%DOI: 10.6084/m9.figshare.5104873.v1
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