Acetic Acid → 1-{2-[3-{5-[3-Cyano-4-(2-methylpropyl)phenyl]-1,3,4-thiadiazol-2-yl}-5-fluoro-2-(methyloxy)phenyl]ethyl}-3-azetidinecarboxylic acid
Reaction equation
[C:37]([OH:38])(=[O:39])[CH3:40].[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[Cl:55][CH2:56][Cl:57].[F:1][c:2]1[cH:3][c:4]([CH2:27][CH:28]=[O:29])[c:5]([O:25][CH3:26])[c:6](-[c:8]2[n:9][n:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([CH2:21][CH:22]([CH3:23])[CH3:24])[c:17]([C:18]#[N:19])[cH:20]3)[s:12]2)[cH:7]1.[NH:30]1[CH2:31][CH:32]([C:34](=[O:35])[OH:36])[CH2:33]1.[Na+:54].[OH2:58]>>[F:1][c:2]1[cH:3][c:4]([CH2:27][CH2:28][N:30]2[CH2:31][CH:32]([C:34](=[O:35])[OH:36])[CH2:33]2)[c:5]([O:25][CH3:26])[c:6](-[c:8]2[n:9][n:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([CH2:21][CH:22]([CH3:23])[CH3:24])[c:17]([C:18]#[N:19])[cH:20]3)[s:12]2)[cH:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-182c00ff7d324651a9ab79c06f41cbaf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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