Ethanol → 4-(2-{(3,5-Bis-trifluoromethyl-benzyl)-[2-(1-ethylpropoxy)-5-trifluoromethyl-benzyl]-amino}-pyrimidin-5-yloxy)-butyric acid
Reaction equation
[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH3:57][CH2:58][OH:59].[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]([O:34][CH:35]([CH2:36][CH3:37])[CH2:38][CH3:39])[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1)([F:47])[F:48].[Na+:50].[OH-:49]>>[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]([O:34][CH:35]([CH2:36][CH3:37])[CH2:38][CH3:39])[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1)([F:47])[F:48]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-4a0c4e5e2e2249c5b88862a7e55bca77
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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