Acetic Acid → 1-[5-(5-aminopyridin-2-yloxy)-4-chloro-2-fluorophenyl]-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one
Reaction equation
[CH3:29][C:30](=[O:31])[OH:32].[CH3:39][CH2:40][O:41][CH2:42][CH3:43].[Cl:1][c:2]1[cH:3][c:4]([F:28])[c:5](-[n:18]2[n:19][c:20]([CH3:27])[n:21]([CH:24]([F:25])[F:26])[c:22]2=[O:23])[cH:6][c:7]1[O:8][c:9]1[n:10][cH:11][c:12]([N+:15]([O-:16])=[O:17])[cH:13][cH:14]1.[Fe:44].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH2:38]>>[Cl:1][c:2]1[cH:3][c:4]([F:28])[c:5](-[n:18]2[n:19][c:20]([CH3:27])[n:21]([CH:24]([F:25])[F:26])[c:22]2=[O:23])[cH:6][c:7]1[O:8][c:9]1[n:10][cH:11][c:12]([NH2:15])[cH:13][cH:14]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-adf695a354ee4dffb7861d81aee92ac6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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