Hydrogen Bromide → 2-Cyclopropylmethylthio-4-(5-trifluoromethylpyridin-2-yl)benzonitrile
Reaction equation
[BrH:20].[CH3:31][N:32]([CH3:33])[CH:34]=[O:35].[CH:21]1([CH2:24][S:25][C:26](=[NH:27])[NH2:28])[CH2:22][CH2:23]1.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][c:11]([F:17])[c:12]([C:13]#[N:14])[cH:15][cH:16]2)[n:7][cH:8]1)([F:18])[F:19].[Na+:30].[OH-:29]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][c:11]([S:25][CH2:24][CH:21]3[CH2:22][CH2:23]3)[c:12]([C:13]#[N:14])[cH:15][cH:16]2)[n:7][cH:8]1)([F:18])[F:19]Participants
7
Sources & evidence
- ORD record
- ord-d31d121b27cc4a5c979ea9e49beeee4c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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