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Dataset #135

[OH:1][C@@:2]1(/[CH:12]=[CH:13]/[C:14](/[CH3:20])=[CH:15]\[C:16]([O:18][CH3:19])=[O:17])[C:7]([CH3:9])([CH3:8])[CH2:6][C:5](=[O:10])[C:4]([CH3:21])=[C:3]1[CH3:11]
Reaction #607397
DOI: 10.6084/m9.figshare.5104873.v1
[N+:1]([C:4]1[CH:5]=[CH:6][C:7]([C:10]2[N:14]=[CH:13][N:12]([C:16]3[CH:21]=[CH:20][C:19]([C:22]([F:25])([F:24])[F:23])=[CH:18][CH:17]=3)[N:11]=2)=[CH:8][CH:9]=1)([O-:3])=[O:2]
Reaction #607398
Yield 63.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:24][C:21]([F:22])([F:23])[C:18]1[CH:17]=[CH:16][C:15]([N:12]2[CH:13]=[N:14][C:10]([C:7]3[CH:8]=[CH:9][C:4]([NH2:1])=[CH:5][CH:6]=3)=[N:11]2)=[CH:20][CH:19]=1
Reaction #607399
Yield 77.9%DOI: 10.6084/m9.figshare.5104873.v1
[N:1]([C:4]1[CH:5]=[CH:6][C:7]([C:10]2[N:14]=[CH:13][N:12]([C:15]3[CH:16]=[CH:17][C:18]([C:27]([F:47])([F:46])[F:26])=[CH:19][CH:20]=3)[N:11]=2)=[CH:8][CH:9]=1)=[C:2]=[S:3]
Reaction #607400
Yield 94.0%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:1][CH:2]([C:6]1[CH:11]=[CH:10][C:9]([Cl:12])=[C:8]([CH3:13])[CH:7]=1)[CH2:3][OH:4]
Reaction #607401
Yield 101.4%DOI: 10.6084/m9.figshare.5104873.v1
[OH:4][CH2:3][C@H:2]([NH:1][C:12]([NH:11][C:14]1[CH:15]=[CH:16][C:17]([C:20]2[N:24]=[CH:23][N:22]([C:25]3[CH:30]=[CH:29][C:28]([O:31][C:32]([F:35])([F:33])[F:34])=[CH:27][CH:26]=3)[N:21]=2)=[CH:18][CH:19]=1)=[S:13])[C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1
Reaction #607402
Yield 69.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:11][C:8]1[CH:9]=[CH:10][C:5]([CH:2]([NH:1][C:13]([NH:12][C:15]2[CH:16]=[CH:17][C:18]([C:21]3[N:25]=[CH:24][N:23]([C:26]4[CH:31]=[CH:30][C:29]([O:32][C:33]([F:36])([F:34])[F:35])=[CH:28][CH:27]=4)[N:22]=3)=[CH:19][CH:20]=2)=[S:14])[CH2:3][OH:4])=[CH:6][CH:7]=1
Reaction #607403
Yield 68.0%DOI: 10.6084/m9.figshare.5104873.v1
[OH:4][CH2:3][CH:2]([NH:1][C:13]([NH:12][C:15]1[CH:16]=[CH:17][C:18]([C:21]2[N:25]=[CH:24][N:23]([C:26]3[CH:31]=[CH:30][C:29]([O:32][C:33]([F:36])([F:34])[F:35])=[CH:28][CH:27]=3)[N:22]=2)=[CH:19][CH:20]=1)=[S:14])[C:5]1[CH:10]=[CH:9][C:8]([CH3:11])=[CH:7][CH:6]=1
Reaction #607404
Yield 71.0%DOI: 10.6084/m9.figshare.5104873.v1
[OH:4][CH2:3][CH:2]([NH:1][C:16]([NH:15][C:18]1[CH:19]=[CH:20][C:21]([C:24]2[N:28]=[CH:27][N:26]([C:29]3[CH:34]=[CH:33][C:32]([O:35][C:36]([F:39])([F:37])[F:38])=[CH:31][CH:30]=3)[N:25]=2)=[CH:22][CH:23]=1)=[S:17])[C:5]1[CH:6]=[CH:7][C:8]([C:11]([F:12])([F:13])[F:14])=[CH:9][CH:10]=1
Reaction #607405
Yield 53.0%DOI: 10.6084/m9.figshare.5104873.v1
[OH:4][CH2:3][C@@H:2]([NH:1][C:12]([NH:11][C:14]1[CH:15]=[CH:16][C:17]([C:20]2[N:24]=[CH:23][N:22]([C:25]3[CH:30]=[CH:29][C:28]([O:31][C:32]([F:35])([F:33])[F:34])=[CH:27][CH:26]=3)[N:21]=2)=[CH:18][CH:19]=1)=[S:13])[C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1
Reaction #607406
Yield 73.0%DOI: 10.6084/m9.figshare.5104873.v1
[OH:5][CH2:4][CH2:3][C@@H:2]([NH:1][C:13]([NH:12][C:15]1[CH:16]=[CH:17][C:18]([C:21]2[N:25]=[CH:24][N:23]([C:26]3[CH:31]=[CH:30][C:29]([O:32][C:33]([F:36])([F:34])[F:35])=[CH:28][CH:27]=3)[N:22]=2)=[CH:19][CH:20]=1)=[S:14])[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1
Reaction #607407
Yield 64.0%DOI: 10.6084/m9.figshare.5104873.v1
[OH:29][CH2:28][CH:27]([NH:26][C:2]([NH:1][C:4]1[CH:9]=[CH:8][C:7]([C:10]2[N:14]=[CH:13][N:12]([C:15]3[CH:20]=[CH:19][C:18]([O:21][C:22]([F:25])([F:24])[F:23])=[CH:17][CH:16]=3)[N:11]=2)=[CH:6][CH:5]=1)=[S:3])[C:30]1[CH:35]=[CH:34][C:33]([O:36][CH3:37])=[CH:32][CH:31]=1
Reaction #607408
DOI: 10.6084/m9.figshare.5104873.v1
[F:11][C:8]1[CH:9]=[CH:10][C:5]([CH:2]([NH:1][C:13]([NH:12][C:15]2[CH:16]=[CH:17][C:18]([C:21]3[N:25]=[CH:24][N:23]([C:26]4[CH:31]=[CH:30][C:29]([O:32][C:33]([F:36])([F:34])[F:35])=[CH:28][CH:27]=4)[N:22]=3)=[CH:19][CH:20]=2)=[S:14])[CH2:3][OH:4])=[CH:6][CH:7]=1
Reaction #607409
Yield 81.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:11][C:8]1[CH:9]=[CH:10][C:5]([CH:2]([NH:1][C:13]([NH:12][C:15]2[CH:16]=[CH:17][C:18]([C:21]3[N:25]=[CH:24][N:23]([C:26]4[CH:31]=[CH:30][C:29]([O:32][C:33]([F:36])([F:34])[F:35])=[CH:28][CH:27]=4)[N:22]=3)=[CH:19][CH:20]=2)=[S:14])[CH2:3][OH:4])=[CH:6][CH:7]=1
Reaction #607410
Yield 98.0%DOI: 10.6084/m9.figshare.5104873.v1
[OH:4][CH2:3][CH:2]([NH:1][C:17]([NH:16][C:19]1[CH:20]=[CH:21][C:22]([C:25]2[N:29]=[CH:28][N:27]([C:30]3[CH:35]=[CH:34][C:33]([O:36][C:37]([F:40])([F:38])[F:39])=[CH:32][CH:31]=3)[N:26]=2)=[CH:23][CH:24]=1)=[S:18])[C:5]1[CH:6]=[CH:7][C:8]([O:11][C:12]([F:13])([F:14])[F:15])=[CH:9][CH:10]=1
Reaction #607411
Yield 87.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:11][C:7]1[CH:6]=[C:5]([CH:2]([NH:1][C:13]([NH:12][C:15]2[CH:16]=[CH:17][C:18]([C:21]3[N:25]=[CH:24][N:23]([C:26]4[CH:31]=[CH:30][C:29]([O:32][C:33]([F:36])([F:34])[F:35])=[CH:28][CH:27]=4)[N:22]=3)=[CH:19][CH:20]=2)=[S:14])[CH2:3][OH:4])[CH:10]=[CH:9][CH:8]=1
Reaction #607412
Yield 99.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:11][C:6]1[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=1[CH:2]([NH:1][C:13]([NH:12][C:15]1[CH:16]=[CH:17][C:18]([C:21]2[N:25]=[CH:24][N:23]([C:26]3[CH:31]=[CH:30][C:29]([O:32][C:33]([F:36])([F:34])[F:35])=[CH:28][CH:27]=3)[N:22]=2)=[CH:19][CH:20]=1)=[S:14])[CH2:3][OH:4]
Reaction #607413
DOI: 10.6084/m9.figshare.5104873.v1
[OH:4][CH2:3][CH:2]([NH:1][C:14]([NH:13][C:16]1[CH:21]=[CH:20][C:19]([C:22]2[N:26]=[CH:25][N:24]([C:27]3[CH:32]=[CH:31][C:30]([C:33]([F:36])([F:34])[F:35])=[CH:29][CH:28]=3)[N:23]=2)=[CH:18][CH:17]=1)=[S:15])[C:5]1[CH:10]=[CH:9][C:8]([O:11][CH3:12])=[CH:7][CH:6]=1
Reaction #607414
DOI: 10.6084/m9.figshare.5104873.v1
[OH:4][CH2:3][CH:2]([NH:1][C:13]([NH:12][C:15]1[CH:20]=[CH:19][C:18]([C:21]2[N:25]=[CH:24][N:23]([C:26]3[CH:31]=[CH:30][C:29]([C:32]([F:35])([F:33])[F:34])=[CH:28][CH:27]=3)[N:22]=2)=[CH:17][CH:16]=1)=[S:14])[C:5]1[CH:10]=[CH:9][C:8]([CH3:11])=[CH:7][CH:6]=1
Reaction #607415
Yield 99.0%DOI: 10.6084/m9.figshare.5104873.v1
[OH:4][CH2:3][CH:2]([NH:1][C:12]([NH:11][C:14]1[CH:19]=[CH:18][C:17]([C:20]2[N:24]=[CH:23][N:22]([C:25]3[CH:30]=[CH:29][C:28]([C:31]([F:34])([F:32])[F:33])=[CH:27][CH:26]=3)[N:21]=2)=[CH:16][CH:15]=1)=[S:13])[C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1
Reaction #607416
DOI: 10.6084/m9.figshare.5104873.v1
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