Ethanol → 2-[(3,5-Bis-trifluoromethyl-benzyl)-(5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-amino]-pyrimidine-5-carboxylic acid
Reaction equation
[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]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[cH:12][n:13]2)[CH2:19][c:20]2[c:21](-[c:30]3[c:31]([O:39][CH3:40])[cH:32][cH:33][c:34]([CH:36]([CH3:37])[CH3:38])[cH:35]3)[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]2)[cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]1)([F:48])[F:49].[Na+:51].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[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]([C:14](=[O:15])[OH:16])[cH:12][n:13]2)[CH2:19][c:20]2[c:21](-[c:30]3[c:31]([O:39][CH3:40])[cH:32][cH:33][c:34]([CH:36]([CH3:37])[CH3:38])[cH:35]3)[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]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-9f59546e66dc4ef7a8557f7effa099ed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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