Ethanol → 7-[(2-{[(3,5-Bis-trifluoromethyl-benzyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amino]-methyl}-4-trifluoromethyl-phenyl)-ethylamino]-heptanoic acid
Reaction equation
[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:62][CH2:63][OH:64].[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][CH2:34][CH2:35][CH2:36][CH2:37][C:38](=[O:39])[O:40][CH2:41][CH3:42])[CH2:43][CH3:44])[cH:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:45][c:46]([C:48]([F:49])([F:50])[F:51])[cH:47]1)([F:52])[F:53].[Na+:55].[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]([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][CH2:34][CH2:35][CH2:36][CH2:37][C:38](=[O:39])[OH:40])[CH2:43][CH3:44])[cH:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:45][c:46]([C:48]([F:49])([F:50])[F:51])[cH:47]1)([F:52])[F:53]Participants
6
Sources & evidence
- ORD record
- ord-14492833673f4ee3a4d72b87661d79aa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…