Ethanol → 4-(2-{(3,5-Bis-trifluoromethyl-benzyl)-[2-(butyl-ethyl-amino)-5-trifluoromethyl-benzyl]-amino}-pyrimidin-5-yloxy)-butyric acid
Reaction equation
[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:58][CH2:59][OH:60].[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]([N:34]([CH2:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH3:40])[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]1)([F:48])[F:49].[Na+:51].[OH-:50]>>[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]([N:34]([CH2:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH3:40])[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]1)([F:48])[F:49]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-f238ccb8654447feaa778ab11d56bb6b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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