Acetone → 1-[4-chloro-2-fluoro-5-(5-nitropyridin-2-yloxy) phenyl]-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one

HRID 289315Notes

Reaction equation

HRID 289315 reaction equation
[C:20](=[O:21])([O-:22])[O-:23].[CH3:36][C:37](=[O:38])[CH3:39].[Cl:1][c:2]1[cH:3][c:4]([F:19])[c:5](-[n:9]2[n:10][c:11]([CH3:18])[n:12]([CH:15]([F:16])[F:17])[c:13]2=[O:14])[cH:6][c:7]1[OH:8].[Cl:26][c:27]1[n:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]1.[K+:24].[K+:25]>>[Cl:1][c:2]1[cH:3][c:4]([F:19])[c:5](-[n:9]2[n:10][c:11]([CH3:18])[n:12]([CH:15]([F:16])[F:17])[c:13]2=[O:14])[cH:6][c:7]1[O:8][c:27]1[n:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 783082-Chloro-5-nitropyridineHCID 137694562-(4-Chloro-2-fluoro-5-hydroxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

Product 1

HCID 199122211-[4-chloro-2-fluoro-5-(5-nitropyridin-2-yloxy) phenyl]-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one

Sources & evidence

ORD record
ord-68b3923b145f4bfe8144e7186ccb7223
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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