Ethanol → 4-({2-[(3,5-Bis-trifluoromethyl-benzyl)-(5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-amino]-pyrimidine-5-carbonyl}-amino)-butyric acid
Reaction equation
[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]([C:14](=[O:15])[NH:16][CH2:17][CH2:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:12][n:13]2)[CH2:25][c:26]2[c:27](-[c:36]3[c:37]([O:45][CH3:46])[cH:38][cH:39][c:40]([CH:42]([CH3:43])[CH3:44])[cH:41]3)[cH:28][cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]2)[cH:47][c:48]([C:50]([F:51])([F:52])[F:53])[cH:49]1)([F:54])[F:55].[Na+:57].[OH-:56]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([C:14](=[O:15])[NH:16][CH2:17][CH2:18][CH2:19][C:20](=[O:21])[OH:22])[cH:12][n:13]2)[CH2:25][c:26]2[c:27](-[c:36]3[c:37]([O:45][CH3:46])[cH:38][cH:39][c:40]([CH:42]([CH3:43])[CH3:44])[cH:41]3)[cH:28][cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]2)[cH:47][c:48]([C:50]([F:51])([F:52])[F:53])[cH:49]1)([F:54])[F:55]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-6a88416b922a44eb8488ab740212984a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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