Bicarbonate Ion → 3-[(2-{[(3,5-Bis-trifluoromethyl-benzyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amino]-methyl}-4-trifluoromethyl-phenyl)-ethyl-amino]-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[n:9][cH:10][c:11]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[cH:12][n:13]2)[CH2:20][c:21]2[c:22]([N:31]([CH2:32][CH2:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:41][CH3:42])[cH:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]1)([F:50])[F:51].[Na+: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]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[cH:12][n:13]2)[CH2:20][c:21]2[c:22]([N:31]([CH2:32][CH2:33][C:34](=[O:35])[OH:36])[CH2:41][CH3:42])[cH:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]1)([F:50])[F:51]Participants
5
Sources & evidence
- ORD record
- ord-9fcf3b332bf548ec9acdda3645b8bfbc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…