Methanol → racemic N-{4-[4,4,4-trifluoro-1-({6-[4-(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-3-yl}amino)butyl]benzoyl}-beta-alanine
Reaction equation
[CH3:47][OH:48].[F:1][C:2]([CH2:3][CH2:4][CH:5]([NH:6][c:7]1[cH:8][n:9][c:10](-[n:13]2[n:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)[cH:11][cH:12]1)[c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[NH:28][CH2:29][CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:36][cH:37]1)([F:38])[F:39].[Li+:45].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:46]>>[F:1][C:2]([CH2:3][CH2:4][CH:5]([NH:6][c:7]1[cH:8][n:9][c:10](-[n:13]2[n:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)[cH:11][cH:12]1)[c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[NH:28][CH2:29][CH2:30][C:31](=[O:32])[OH:33])[cH:36][cH:37]1)([F:38])[F:39]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-c95e45fc146b45d98e54b876959587e3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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