Acetic Acid → 1-{2-[5-Fluoro-3-{5-[4-[(1-methylethyl)oxy]-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}-2-(methyloxy)phenyl]ethyl}-3-azetidinecarboxylic acid
Reaction equation
[C:39]([OH:40])(=[O:41])[CH3:42].[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[Cl:57][CH2:58][Cl:59].[F:1][c:2]1[cH:3][c:4](-[c:13]2[s:14][c:15](-[c:18]3[cH:19][c:20]([C:28]([F:29])([F:30])[F:31])[c:21]([O:24][CH:25]([CH3:26])[CH3:27])[cH:22][cH:23]3)[n:16][n:17]2)[c:5]([O:11][CH3:12])[c:6]([CH2:8][CH:9]=[O:10])[cH:7]1.[NH:32]1[CH2:33][CH:34]([C:36](=[O:37])[OH:38])[CH2:35]1.[Na+:56].[OH2:60]>>[F:1][c:2]1[cH:3][c:4](-[c:13]2[s:14][c:15](-[c:18]3[cH:19][c:20]([C:28]([F:29])([F:30])[F:31])[c:21]([O:24][CH:25]([CH3:26])[CH3:27])[cH:22][cH:23]3)[n:16][n:17]2)[c:5]([O:11][CH3:12])[c:6]([CH2:8][CH2:9][N:32]2[CH2:33][CH:34]([C:36](=[O:37])[OH:38])[CH2:35]2)[cH:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-8dc0dca8ca35473aa3057a37a17a837e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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