Water → (4-Cyano-3,5-difluorophenyl) 4-[2-[4-(butoxymethyl)cyclohexyl]ethyl]benzoate
Reaction equation
[CH2:25]([CH2:26][CH2:27][CH3:28])[O:29][CH2:30][CH:31]1[CH2:32][CH2:33][CH:34]([CH2:37][CH2:38][c:39]2[cH:40][cH:41][c:42]([C:43](=[O:44])[Cl:45])[cH:46][cH:47]2)[CH2:35][CH2:36]1.[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.[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:43]([c:42]2[cH:41][cH:40][c:39]([CH2:38][CH2:37][CH:34]3[CH2:33][CH2:32][CH:31]([CH2:30][O:29][CH2:25][CH2:26][CH2:27][CH3:28])[CH2:36][CH2:35]3)[cH:47][cH:46]2)=[O:44])[cH:9]1Participants
6
Sources & evidence
- ORD record
- ord-c482039bb42a418e824987129af809bf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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