Hydrochloric Acid → 3-(4-{4,4-Dimethyl-1-[6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-pentyloxy}-benzoylamino)-butyric acid
Reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:1][O:2][C:3]([CH2:4][CH:5]([CH3:6])[NH:7][C:8]([c:9]1[cH:10][cH:11][c:12]([O:15][CH:16]([CH2:17][CH2:18][C:19]([CH3:20])([CH3:21])[CH3:22])[c:23]2[cH:24][n:25][c:26](-[c:29]3[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]3)[cH:27][cH:28]2)[cH:13][cH:14]1)=[O:39])=[O:40].[ClH:43].[Na+:42].[OH-:41]>>[O:2]=[C:3]([CH2:4][CH:5]([CH3:6])[NH:7][C:8]([c:9]1[cH:10][cH:11][c:12]([O:15][CH:16]([CH2:17][CH2:18][C:19]([CH3:20])([CH3:21])[CH3:22])[c:23]2[cH:24][n:25][c:26](-[c:29]3[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]3)[cH:27][cH:28]2)[cH:13][cH:14]1)=[O:39])[OH:40]Participants
6
Sources & evidence
- ORD record
- ord-9ed485add2ad47d6994ce0cf248ff6dc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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