Acetic Acid → 3-[5-(Methanesulfonyl)-4-methyl-4H-1,2,4-triazol-3-yl]pyridine
Reaction equation
[CH3:28][C:29](=[O:30])[OH:31].[CH3:7][n:8]1[c:9](-[c:15]2[cH:16][n:17][cH:18][cH:19][cH:20]2)[n:10][n:11][c:12]1[S:13][CH3:14].[Cl:23][CH:24]([Cl:25])[Cl:26].[K+:6].[Mn:1](=[O:2])([O-:3])(=[O:4])=[O:5].[Na+:22].[OH-:21].[OH2:27]>>[O:2]=[S:13]([c:12]1[n:8]([CH3:7])[c:9](-[c:15]2[cH:16][n:17][cH:18][cH:19][cH:20]2)[n:10][n:11]1)([CH3:14])=[O:21]Participants
9
Sources & evidence
- ORD record
- ord-2a8f9fb5bcee40f08dc31ed1fe6ff691
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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