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Dataset #370

[CH3:31][C:2]([CH3:1])([CH3:32])[C:3]#[C:4][C:5]1[S:9][C:8]([C:10]([OH:12])=[O:11])=[C:7]([N:13]([CH2:23][CH2:24][P:25]([OH:28])([CH3:27])=[O:26])[C:14]([CH:16]2[CH2:17][CH2:18][CH:19]([CH3:22])[CH2:20][CH2:21]2)=[O:15])[CH:6]=1
Reaction #1702099
Yield 36.3%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:18][C:19]([CH3:39])([CH3:38])[C:20]#[C:21][C:22]1[S:26][CH:25]=[C:24]([N:27]([CH:28]2[CH2:37][CH2:36][C:31]3([O:32][CH2:33][CH2:34][O:35]3)[CH2:30][CH2:29]2)[C:9]([C@@H:5]2[C@@H:6]([CH3:8])[CH2:7][C:2]([CH3:1])=[CH:3][CH2:4]2)=[O:11])[CH:23]=1
Reaction #1702100
Yield 92.3%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:31][C:2]([CH3:1])([CH3:32])[C:3]#[C:4][C:5]1[S:9][CH:8]=[C:7]([N:10]([CH:21]2[CH2:22][CH2:23][C:24](=[O:25])[CH2:29][CH2:30]2)[C:11]([C@@H:13]2[C@@H:18]([CH3:19])[CH2:17][C:16]([CH3:20])=[CH:15][CH2:14]2)=[O:12])[CH:6]=1
Reaction #1702101
Yield 100.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:28][C:2]([CH3:1])([CH3:29])[C:3]#[C:4][C:5]1[S:9][CH:8]=[C:7]([N:10]([C@H:21]2[CH2:26][CH2:25][C@H:24]([OH:27])[CH2:23][CH2:22]2)[C:11]([C@@H:13]2[C@@H:18]([CH3:19])[CH2:17][C:16]([CH3:20])=[CH:15][CH2:14]2)=[O:12])[CH:6]=1
Reaction #1702102
Yield 85.7%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:29][C:2]([CH3:28])([CH3:1])[C:3]#[C:4][C:5]1[S:9][C:8]([C:38]([OH:41])=[O:40])=[C:7]([N:10]([C:11]([C@@H:13]2[C@@H:18]([CH3:19])[CH2:17][C:16]([CH3:20])=[CH:15][CH2:14]2)=[O:12])[CH:21]2[CH2:26][CH2:25][CH:24]([OH:27])[CH2:23][CH2:22]2)[CH:6]=1
Reaction #1702103
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:9][C:5]1[CH2:6][CH2:7][C@H:6]([C:7]([OH:1])=[O:8])[CH2:5][CH:9]=1
Reaction #1702104
Yield 91.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]1[CH2:7][CH2:6][C@H:5]([C:8]([Cl:21])=[O:10])[CH2:4][CH:3]=1
Reaction #1702105
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:11][O:12][C:13]([C:15]1[S:16][C:17]([C:31]#[C:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[CH:18][C:19]=1[N:20]([CH:21]1[CH2:30][CH2:29][C:24]2([O:28][CH2:27][CH2:26][O:25]2)[CH2:23][CH2:22]1)[C:8]([CH:5]1[CH2:6][CH2:7][C:2]([CH3:1])=[CH:3][CH2:4]1)=[O:9])=[O:14]
Reaction #1702106
Yield 56.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:41]([O:40][C:36]([CH3:39])([PH2:37]=[O:38])[C:33]1[CH:34]=[CH:35][C:30]([C:7]2[S:6][C:5]([C:3]([OH:4])=[O:2])=[C:9]([N:10]([CH:20]3[CH2:21][CH2:22][CH:23]([OH:24])[CH2:28][CH2:29]3)[C:11]([CH:13]3[CH2:18][CH2:17][CH:16]([CH3:19])[CH2:15][CH2:14]3)=[O:12])[CH:8]=2)=[CH:31][CH:32]=1)[CH3:42]
Reaction #1702107
Yield 6.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:9][O:10][C:11]([C:13]1[S:14][C:15]([C:7]#[C:6][C:2]([CH3:8])([CH3:1])[CH2:3][CH2:4][OH:5])=[CH:16][C:17]=1[N:18]([CH:28]1[CH2:29][CH2:30][CH:31]([O:34][Si:35]([C:38]([CH3:39])([CH3:41])[CH3:40])([CH3:36])[CH3:37])[CH2:32][CH2:33]1)[C:19]([CH:21]1[CH2:22][CH2:23][CH:24]([CH3:27])[CH2:25][CH2:26]1)=[O:20])=[O:12]
Reaction #1702108
Yield 90.2%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:11][C:12]1[N:17]=[C:16]([NH:7][CH2:6][C:5]2[CH:8]=[CH:9][CH:10]=[C:3]([O:2][CH3:1])[CH:4]=2)[C:15]([Cl:19])=[CH:14][N:13]=1
Reaction #1702109
Yield 93.2%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:18][C:5]1[C:6]([NH:8][CH2:9][C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([O:16][CH3:17])[CH:11]=2)=[N:7][C:2]([NH:19][C:20]2[CH:21]=[C:22]([CH2:23][OH:24])[CH:25]=[CH:26][CH:27]=2)=[N:3][CH:4]=1
Reaction #1702110
Yield 98.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:31][CH2:15][C:11]1[CH:10]=[C:9]([NH:8][C:5]2[N:4]=[C:3]([NH:17][CH2:18][C:19]3[CH:20]=[C:21]([OH:25])[CH:22]=[CH:23][CH:24]=3)[C:2]([Cl:1])=[CH:7][N:6]=2)[CH:14]=[CH:13][CH:12]=1
Reaction #1702111
Yield 99.0%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:1][C:4]1[CH:5]=[C:6]([CH2:10][CH2:11][OH:12])[CH:7]=[CH:8][CH:9]=1
Reaction #1702112
Yield 99.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:18][C:5]1[C:6]([NH:8][CH2:9][C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([O:16][CH3:17])[CH:11]=2)=[N:7][C:2]([NH:19][C:20]2[CH:21]=[C:22]([CH2:26][CH2:27][OH:28])[CH:23]=[CH:24][CH:25]=2)=[N:3][CH:4]=1
Reaction #1702113
Yield 74.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:32][CH2:16][CH2:15][C:11]1[CH:10]=[C:9]([NH:8][C:5]2[N:4]=[C:3]([NH:18][CH2:19][C:20]3[CH:21]=[C:22]([OH:26])[CH:23]=[CH:24][CH:25]=3)[C:2]([Cl:1])=[CH:7][N:6]=2)[CH:14]=[CH:13][CH:12]=1
Reaction #1702114
Yield 20.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:12]([O:11][C:10](=[O:16])[NH:9][C:5]1[CH:6]=[CH:7][CH:8]=[C:3]([CH2:2][NH:1][C:20]2[C:21]([Cl:25])=[CH:22][N:23]=[C:18]([Cl:17])[N:19]=2)[CH:4]=1)([CH3:13])([CH3:15])[CH3:14]
Reaction #1702115
Yield 92.3%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:14][C:9]1[N:8]=[C:7]([NH:6][CH2:5][C:4]2[CH:3]=[C:2]([NH:1][S:35]([C:31]3[CH:32]=[CH:33][CH:34]=[C:29]([N+:26]([O-:28])=[O:27])[CH:30]=3)(=[O:36])=[O:37])[CH:17]=[CH:16][CH:15]=2)[C:12]([Cl:13])=[CH:11][N:10]=1
Reaction #1702116
Yield 95.0%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:26][C:22]1[CH:21]=[C:20]([S:17]([NH:16][C:12]2[CH:13]=[CH:14][CH:15]=[C:10]([CH2:9][NH:8][C:6]3[C:5]([Cl:29])=[CH:4][N:3]=[C:2]([Cl:1])[N:7]=3)[CH:11]=2)(=[O:18])=[O:19])[CH:25]=[CH:24][CH:23]=1
Reaction #1702117
Yield 25.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:14][C:9]1[N:8]=[C:7]([NH:6][CH2:5][C:4]2[CH:3]=[C:2]([NH:1][C:32](=[O:33])[C:31]3[CH:35]=[CH:36][CH:37]=[C:29]([N+:26]([O-:28])=[O:27])[CH:30]=3)[CH:17]=[CH:16][CH:15]=2)[C:12]([Cl:13])=[CH:11][N:10]=1
Reaction #1702118
Yield 70.0%DOI: 10.6084/m9.figshare.5104873.v1
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