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Dataset #98

[Cl:13][CH2:14][CH2:15][CH2:16][C:17]([NH:12][C:10]1[S:11][C:7]([C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)=[N:8][N:9]=1)=[O:18]
Reaction #487550
Yield 85.2%DOI: 10.6084/m9.figshare.5104873.v1
[C:13]1([C:10]2[S:9][C:8]3=[N:7][C:5](=[O:6])[CH2:4][CH2:3][CH2:2][N:12]3[N:11]=2)[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1
Reaction #487551
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:6]([C:8]1[CH:14]=[CH:13][C:11]([NH2:12])=[CH:10][C:9]=1[N+:1]([O-:4])=[O:2])[CH3:7]
Reaction #487552
Yield 75.2%DOI: 10.6084/m9.figshare.5104873.v1
[Br:17][C:6]1[CH:8]=[CH:9][C:3]([CH2:1][CH3:2])=[C:4]([N+:10]([O-:12])=[O:11])[CH:5]=1
Reaction #487553
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:13][C:14]1[CH:19]=[CH:18][C:17]([C:2]2[CH:7]=[CH:6][C:5]([CH2:8][CH3:9])=[C:4]([N+:10]([O-:12])=[O:11])[CH:3]=2)=[CH:16][CH:15]=1
Reaction #487554
Yield 104.7%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:16][C:10]1[CH:9]=[C:8]([C:5]2[CH:6]=[CH:7][C:2]([Cl:1])=[CH:3][CH:4]=2)[CH:13]=[CH:12][C:11]=1[CH2:14][CH3:15]
Reaction #487555
Yield 75.3%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:16][C:13]1[CH:14]=[CH:15][C:10]([C:4]2[CH:5]=[CH:6][C:7]([CH2:8][CH3:9])=[C:2]([B:24]([OH:25])[OH:23])[CH:3]=2)=[CH:11][CH:12]=1
Reaction #487556
Yield 69.1%DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([O-:4])(=[O:3])[CH3:2]
Reaction #487557
Yield 100.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:23][C:24]1[CH:38]=[CH:37][C:27]([C:28]2[CH:33]=[CH:32][C:31]([CH2:35][CH3:36])=[C:30]([CH:4]3[C:3](=[O:9])[C:2]([CH3:10])([CH3:1])[CH2:7][CH2:6][C:5]3=[O:8])[CH:29]=2)=[CH:26][CH:25]=1
Reaction #487558
DOI: 10.6084/m9.figshare.5104873.v1
[Br:9][C:6]1[CH:7]=[CH:8][C:3]([CH2:1][CH3:2])=[C:4]([CH:5]=1)[NH2:10]
Reaction #487559
Yield 17.1%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:9][CH3:10])=[C:6]([I:20])[CH:8]=1
Reaction #487560
DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH3:9])=[C:4]([B:18]([OH:19])[OH:17])[CH:3]=1
Reaction #487561
Yield 87.7%DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([O-:4])(=[O:3])[CH3:2]
Reaction #487562
Yield 67.2%DOI: 10.6084/m9.figshare.5104873.v1
[Br:23][C:24]1[CH:29]=[CH:28][C:27]([CH2:31][CH3:32])=[C:26]([CH:4]2[C:3](=[O:9])[C:2]([CH3:10])([CH3:1])[CH2:7][CH2:6][C:5]2=[O:8])[CH:25]=1
Reaction #487563
Yield 46.6%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:27][C:25]1[CH:24]=[CH:23][C:22]([C:2]2[CH:3]=[CH:4][C:5]([CH2:18][CH3:19])=[C:6]([CH:8]3[C:13](=[O:14])[C:12]([CH3:16])([CH3:15])[CH2:11][CH2:10][C:9]3=[O:17])[CH:7]=2)=[C:21]([CH3:20])[CH:26]=1
Reaction #487564
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:20][C:9]1[CH:8]=[CH:7][N:6]=[C:5]2[NH:1][CH:2]=[CH:3][C:4]=12
Reaction #487565
Yield 135.4%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:11]([N:18]1[CH2:23][CH2:22][CH2:21][CH:20]([N:24]([CH3:25])[C:2]2[CH:7]=[CH:6][N:5]=[C:4]3[NH:8][CH:9]=[CH:10][C:3]=23)[CH2:19]1)[C:12]1[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=1
Reaction #487566
Yield 130.0%DOI: 10.6084/m9.figshare.5104873.v1
[ClH:28]
Reaction #487567
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]2[N:8]([CH2:16][O:15][CH2:14][CH2:13][Si:12]([CH3:19])([CH3:18])[CH3:11])[CH:9]=[CH:10][C:3]=12
Reaction #487568
Yield 112.5%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([N:8]1[CH2:13][CH2:12][C@@H:11]([CH3:14])[C@@H:10]([N:15]([CH3:16])[C:18]2[CH:23]=[CH:22][N:21]=[C:20]3[N:24]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:34])([CH3:33])[CH3:32])[CH:25]=[CH:26][C:19]=23)[CH2:9]1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
Reaction #487569
Yield 120.8%DOI: 10.6084/m9.figshare.5104873.v1
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