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Dataset #133

[CH3:1][C:2]1([CH3:22])[CH2:11][CH2:10][C:9]([CH3:12])([CH3:13])[C:8]2[CH:7]=[C:6]([CH:14]([OH:15])[C:23]#[CH:24])[CH:5]=[C:4]([O:16][CH2:17][CH2:18][O:19][CH2:20][CH3:21])[C:3]1=2
Reaction #586118
Yield 97.0%DOI: 10.6084/m9.figshare.5104873.v1
[OH:17][CH:14]([C:6]1[CH:5]=[C:4]([O:18][CH2:19][CH2:20][O:21][CH2:22][CH3:23])[C:3]2[C:2]([CH3:24])([CH3:1])[CH2:11][CH2:10][C:9]([CH3:12])([CH3:13])[C:8]=2[CH:7]=1)[C:15]#[C:16][C:26]1[CH:34]=[CH:33][C:29]([C:30]([OH:32])=[O:31])=[CH:28][CH:27]=1
Reaction #586119
Yield 50.0%DOI: 10.6084/m9.figshare.5104873.v1
[OH:17][CH:14]([C:6]1[CH:5]=[C:4]([O:18][CH2:19][CH2:20][O:21][CH2:22][CH3:23])[C:3]2[C:2]([CH3:24])([CH3:1])[CH2:11][CH2:10][C:9]([CH3:12])([CH3:13])[C:8]=2[CH:7]=1)[C:15]#[C:16][C:33]1[CH:32]=[CH:31][C:27]([C:28]([OH:30])=[O:29])=[C:26]([OH:25])[CH:34]=1
Reaction #586120
Yield 42.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]1([CH3:24])[CH2:11][CH2:10][C:9]([CH3:12])([CH3:13])[C:8]2[CH:7]=[C:6]([C@H:14]([OH:17])[C:15]#[CH:16])[CH:5]=[C:4]([O:18][CH2:19][CH2:20][O:21][CH2:22][CH3:23])[C:3]1=2
Reaction #586121
Yield 41.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:22]([S:1][C:2]1[CH:9]=[C:8]([C:10]2[CH:15]=[CH:14][C:13]([C:16]([F:17])([F:18])[F:19])=[CH:12][CH:11]=2)[CH:7]=[CH:6][C:3]=1[C:4]#[N:5])[CH:21]=[CH2:20]
Reaction #586122
Yield 43.5%DOI: 10.6084/m9.figshare.5104873.v1
[CH:19]1([CH2:23][S:1][C:2]2[CH:9]=[C:8]([C:10]3[C:11]([C:15]([F:16])([F:18])[F:17])=[N:12][NH:13][CH:14]=3)[CH:7]=[CH:6][C:3]=2[C:4]#[N:5])[CH2:22][CH2:21][CH2:20]1
Reaction #586123
Yield 21.6%DOI: 10.6084/m9.figshare.5104873.v1
[CH:21]([S:1][C:2]1[CH:7]=[C:6]([C:8]2[C:9]([Cl:19])=[CH:10][C:11]([C:15]([F:18])([F:16])[F:17])=[CH:12][C:13]=2[Cl:14])[CH:5]=[CH:4][C:3]=1[CH3:20])([CH3:26])[CH3:22]
Reaction #586124
Yield 75.3%DOI: 10.6084/m9.figshare.5104873.v1
[F:56][C:57]([F:61])([F:60])[CH2:58][S:1][C:23]1[CH:28]=[C:27]([C:29]2[CH:34]=[CH:33][C:32]([C:35]([F:37])([F:36])[F:38])=[CH:31][CH:30]=2)[CH:26]=[CH:25][C:24]=1[O:39][CH2:40][O:41][CH2:42][CH3:43]
Reaction #586125
Yield 151.1%DOI: 10.6084/m9.figshare.5104873.v1
[F:48][C:49]([F:53])([F:52])[CH2:2][S:1][C:19]1[CH:24]=[C:23]([C:25]2[C:26]([C:30]([F:32])([F:33])[F:31])=[N:27][NH:28][CH:29]=2)[CH:22]=[CH:21][C:20]=1[C:34]#[N:35]
Reaction #586126
Yield 142.3%DOI: 10.6084/m9.figshare.5104873.v1
[F:48][C:49]([F:53])([F:52])[CH2:19][S:1][C:2]1[CH:7]=[C:6]([C:8]2[N:9]([C:13]([F:15])([F:16])[F:14])[N:10]=[N:11][CH:12]=2)[C:5]([F:17])=[CH:4][C:3]=1[Cl:18]
Reaction #586127
Yield 96.6%DOI: 10.6084/m9.figshare.5104873.v1
[CH:1]([S:4][C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([C:23]2[C:22]([Cl:25])=[CH:21][C:20]([C:26]([F:27])([F:29])[F:28])=[CH:19][C:18]=2[Cl:17])[CH:6]=1)([CH3:3])[CH3:2]
Reaction #586128
Yield 38.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH:14]1([S:19][C:20]2[CH:25]=[CH:24][CH:23]=[C:22]([C:6]3[CH:7]=[CH:8][C:3]([C:2]([F:13])([F:12])[F:1])=[CH:4][CH:5]=3)[CH:21]=2)[CH2:15][CH2:16][CH2:17][CH2:18]1
Reaction #586129
Yield 78.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:24][C:18]1[CH:19]=[C:20]([Cl:23])[CH:21]=[CH:22][C:17]=1[C:15]1[CH:14]=[CH:13][C:10]([C:11]#[N:12])=[C:9]([S:5][CH2:3][CH3:4])[CH:16]=1
Reaction #586130
Yield 88.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH:3]([S:6][C:12]1[CH:13]=[C:14]([C:16]2[C:21]([Cl:22])=[CH:20][C:19]([C:23]([F:26])([F:24])[F:25])=[CH:18][C:17]=2[Cl:27])[CH:15]=[CH:10][C:11]=1[N+:28]([O-:30])=[O:29])([CH3:5])[CH3:4]
Reaction #586131
Yield 90.3%DOI: 10.6084/m9.figshare.5104873.v1
[CH:21]1([CH2:24][S:25][C:11]2[CH:10]=[C:9]([C:6]3[CH:5]=[CH:4][C:3]([C:2]([F:19])([F:18])[F:1])=[CH:8][N:7]=3)[CH:16]=[CH:15][C:12]=2[C:13]#[N:14])[CH2:23][CH2:22]1
Reaction #586132
Yield 96.8%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[S:6][C:5]([C:7]2[CH:14]=[CH:13][C:10]([C:11]#[N:12])=[C:9]([S:21][CH2:20][CH:17]3[CH2:19][CH2:18]3)[CH:8]=2)=[CH:4][CH:3]=1
Reaction #586133
Yield 91.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:19][C:20]([F:24])([F:23])[CH2:21][S:22][C:2]1[CH:9]=[C:8]([C:10]2[C:14]([C:15]([F:18])([F:17])[F:16])=[CH:13][NH:12][N:11]=2)[CH:7]=[CH:6][C:3]=1[C:4]#[N:5]
Reaction #586134
Yield 57.1%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:21]([S:24][C:2]1[CH:11]=[C:10]([C:12]2[C:13]([C:17]([F:20])([F:19])[F:18])=[N:14][NH:15][CH:16]=2)[CH:9]=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5])[CH2:22][CH3:23]
Reaction #586135
Yield 18.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH:1]([S:4]([C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([C:11]2[CH:16]=[CH:15][C:14]([Cl:17])=[CH:13][C:12]=2[Cl:18])[CH:6]=1)=[O:27])([CH3:3])[CH3:2]
Reaction #586136
Yield 85.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:24][C:2]([F:1])([F:23])[CH2:3][S:4]([C:5]1[CH:10]=[C:9]([C:11]2[C:12]([C:16]([F:18])([F:19])[F:17])=[N:13][NH:14][CH:15]=2)[CH:8]=[CH:7][C:6]=1[CH:20]([F:22])[F:21])=[O:33]
Reaction #586137
Yield 97.4%DOI: 10.6084/m9.figshare.5104873.v1
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