Isopropanol → N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-3-{[4-(trifluoromethyl)phenyl]methoxy}propyl)piperazinyl]acetamide
Reaction equation
[CH3:1][c:2]1[c:3]([NH:9][C:10]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([CH2:18][CH:19]([CH2:20][O:21][CH:22]3[CH2:23][c:24]4[c:25]([cH:26][cH:27][cH:28][cH:29]4)[CH2:30]3)[OH:31])[CH2:16][CH2:17]2)=[O:32])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[CH3:45][CH:46]([OH:47])[CH3:48].[F:33][C:34]([c:35]1[cH:36][cH:37][c:38]([CH2:39][OH:40])[cH:41][cH:42]1)([F:43])[F:44]>>[CH3:1][c:2]1[c:3]([NH:9][C:10]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([CH2:18][CH:19]([CH2:20][O:21][CH2:22][c:38]3[cH:37][cH:36][c:35]([C:34]([F:33])([F:43])[F:44])[cH:42][cH:41]3)[OH:31])[CH2:16][CH2:17]2)=[O:32])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1Participants
4
Sources & evidence
- ORD record
- ord-cc571a4a4d394a2a8c99e1b963889076
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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