Ethanol → 3-[[4-[1-[6-[4-(Trifluoromethyl)phenyl]-3-pyridinyl]heptoxy]benzoyl]amino]propanoic acid
Reaction equation
[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([O:14][CH:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[c:22]2[cH:23][n:24][c:25](-[c:28]3[cH:29][cH:30][c:31]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:33]3)[cH:26][cH:27]2)[cH:12][cH:13]1)=[O:38])=[O:39].[CH3:42][CH2:43][OH:44].[Na+:41].[OH-:40]>>[O:2]=[C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([O:14][CH:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[c:22]2[cH:23][n:24][c:25](-[c:28]3[cH:29][cH:30][c:31]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:33]3)[cH:26][cH:27]2)[cH:12][cH:13]1)=[O:38])[OH:39]Participants
5
Sources & evidence
- ORD record
- ord-90d3246ce5cb458584ae5f7a468edc90
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…