Hydrogen Bromide → 2-(p-Fluorophenyl)-4-thiocyanato-6-isopropylphenol
Reaction equation
[Br:22].[CH2:32]1[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[CH3:30][OH:31].[F:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[c:13]([OH:21])[c:14]([CH:18]([CH3:19])[CH3:20])[cH:15][cH:16][cH:17]2)[cH:10][cH:11]1.[Na+:1].[OH:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[S-:2][C:3]#[N:4].[c:38]1([CH3:39])[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[S:2]([C:3]#[N:4])[c:16]1[cH:15][c:14]([CH:18]([CH3:19])[CH3:20])[c:13]([OH:21])[c:12](-[c:9]2[cH:8][cH:7][c:6]([F:5])[cH:11][cH:10]2)[cH:17]1Participants
9
Sources & evidence
- ORD record
- ord-34c4dbff8ec54aa2a60036b498434cde
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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