Water → [4-(4-Cyano-3,5-difluorophenyl)phenyl] 4-[4-(propoxymethyl)cyclohexyl]benzoate
Reaction equation
[CH2:31]([CH2:32][CH3:33])[O:34][CH2:35][CH:36]1[CH2:37][CH2:38][CH:39]([c:42]2[cH:43][cH:44][c:45]([C:46](=[O:47])[Cl:48])[cH:49][cH:50]2)[CH2:40][CH2:41]1.[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[F:1][c:2]1[cH:3][c:4](-[c:11]2[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]2)[cH:5][c:6]([F:10])[c:7]1[C:8]#[N:9].[OH2:51].[cH:18]1[cH:19][cH:20][n:21][cH:22][cH:23]1>>[F:1][c:2]1[cH:3][c:4](-[c:11]2[cH:12][cH:13][c:14]([O:17][C:46]([c:45]3[cH:44][cH:43][c:42]([CH:39]4[CH2:38][CH2:37][CH:36]([CH2:35][O:34][CH2:31][CH2:32][CH3:33])[CH2:41][CH2:40]4)[cH:50][cH:49]3)=[O:47])[cH:15][cH:16]2)[cH:5][c:6]([F:10])[c:7]1[C:8]#[N:9]Participants
6
Sources & evidence
- ORD record
- ord-864fc82a7c1b4414ac11177a63a2031f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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