Hydrochloric Acid → 2-(4-Cyanophenyl)-2,2-difluoro-1-[4-(trans-4-pentylcyclohexyl)phenyl]ethanone
Reaction equation
[Br:1][C:2]([c:3]1[cH:4][cH:5][c:6]([C:9]#[N:10])[cH:7][cH:8]1)([F:11])[F:12].[CH2:18]([CH2:19][CH2:20][CH2:21][CH3:22])[CH:23]1[CH2:24][CH2:25][CH:26]([c:29]2[cH:30][cH:31][c:32]([C:33]#[N:34])[cH:35][cH:36]2)[CH2:27][CH2:28]1.[CH2:38]1[CH2:41][CH2:40][CH2:39][O:42]1.[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[ClH:37].[Li:13][CH2:14][CH2:15][CH2:16][CH3:17]>>[C:2]([c:3]1[cH:4][cH:5][c:6]([C:9]#[N:10])[cH:7][cH:8]1)([F:11])([F:12])[C:33]([c:32]1[cH:31][cH:30][c:29]([CH:26]2[CH2:25][CH2:24][CH:23]([CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[CH2:28][CH2:27]2)[cH:36][cH:35]1)=[O:42]Participants
7
Sources & evidence
- ORD record
- ord-7cc4b3eaf3e242a5ad35c666ad093f9d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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