Ethanol → 4-{2-[(3,5-Bis-trifluoromethyl-benzyl)-(2-hydroxy-5-trifluoromethyl-benzyl)-amino]-pyrimidin-5-yloxy}-butyric acid
Reaction equation
[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][CH2:53][OH:54].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:12][n:13]2)[CH2:23][c:24]2[c:25]([OH:34])[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]1)([F:42])[F:43].[Na+:45].[OH-:44]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[OH:20])[cH:12][n:13]2)[CH2:23][c:24]2[c:25]([OH:34])[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]1)([F:42])[F:43]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-6c0196b7b37b4fe9b1453d42faf43a1a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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