Bicarbonate Ion → 3-(6-{(3,5-Bis-trifluoromethyl-benzyl)-[2-(butyl-ethyl-amino)-5-trifluoromethyl-benzyl]-amino}-pyrimidin-4-ylamino)-propionic acid
Reaction equation
[C:52](=[O:53])([OH:54])[O-:55].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[cH:9][c:10]([NH:14][CH2:15][CH2:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[n:11][cH:12][n:13]2)[CH2:24][c:25]2[c:26]([N:35]([CH2:36][CH3:37])[CH2:38][CH2:39][CH2:40][CH3:41])[cH:27][cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]2)[cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[cH:44]1)([F:49])[F:50].[Na+:56].[OH2:51]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[cH:9][c:10]([NH:14][CH2:15][CH2:16][C:17](=[O:18])[OH:19])[n:11][cH:12][n:13]2)[CH2:24][c:25]2[c:26]([N:35]([CH2:36][CH3:37])[CH2:38][CH2:39][CH2:40][CH3:41])[cH:27][cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]2)[cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[cH:44]1)([F:49])[F:50]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-d1ba49980b0b4927bc0ed771de090be7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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