Water → 3,5-Difluoro-4-cyanophenyl 2-fluoro-4-(2-(trans-4-pentylcyclohexyl)ethyl)benzoate
Reaction equation
[CH3:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[F:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([F:11])[cH:7][c:8]([OH:10])[cH:9]1.[F:25][c:26]1[c:27]([C:28](=[O:29])[Cl:30])[cH:31][cH:32][c:33]([CH2:35][CH2:36][CH:37]2[CH2:38][CH2:39][CH:40]([CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])[CH2:41][CH2:42]2)[cH:34]1.[OH2:48].[cH:12]1[cH:13][cH:14][n:15][cH:16][cH:17]1>>[F:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([F:11])[cH:7][c:8]([O:10][C:28]([c:27]2[c:26]([F:25])[cH:34][c:33]([CH2:35][CH2:36][CH:37]3[CH2:38][CH2:39][CH:40]([CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])[CH2:41][CH2:42]3)[cH:32][cH:31]2)=[O:29])[cH:9]1Participants
6
Sources & evidence
- ORD record
- ord-6b5d3d161a584883ae444e35f5a0899d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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