Potassium Cation → 1-[4-chloro-5-(4-cyanophenoxy)-2-fluorophenyl]-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one

HRID 676144Notes

Reaction equation

HRID 676144 reaction equation
[C:20](=[O:21])([O-:22])[O-:23].[CH3:35][N:36]([CH3:37])[CH:38]=[O: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].[F:26][c:27]1[cH:28][cH:29][c:30]([C:31]#[N:32])[cH:33][cH:34]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[cH:28][cH:29][c:30]([C:31]#[N:32])[cH:33][cH:34]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 145174-FluorobenzonitrileHCID 19660Carbonate IonHCID 137694562-(4-Chloro-2-fluoro-5-hydroxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

Product 1

HCID 199122151-[4-chloro-5-(4-cyanophenoxy)-2-fluorophenyl]-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one

Sources & evidence

ORD record
ord-3fe63131dcef40bc82fd38819823d5b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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