Sodium ion → 1-[2-Fluoro-4-chloro-5-(4-nitrophenoxy)phenyl]-3-methyl-4-(difluoromethyl)-1H-1,2,4-triazol-5(4H)-one

HRID 1142690Notes

Reaction equation

[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[Cl:3][c:4]1[cH:5][c:6]([F:21])[c:7](-[n:11]2[n:12][c:13]([CH3:20])[n:14]([CH:17]([F:18])[F:19])[c:15]2=[O:16])[cH:8][c:9]1[OH:10].[F:22][c:23]1[cH:24][cH:25][c:26]([N+:29](=[O:30])[O-:31])[cH:27][cH:28]1.[H-:1].[Na+:2].[OH2:32]>>[Cl:3][c:4]1[cH:5][c:6]([F:21])[c:7](-[n:11]2[n:12][c:13]([CH3:20])[n:14]([CH:17]([F:18])[F:19])[c:15]2=[O:16])[cH:8][c:9]1[O:10][c:23]1[cH:24][cH:25][c:26]([N+:29](=[O:30])[O-:31])[cH:27][cH:28]1

Participants

Reactant 6

HCID 923Sodium ion

HCID 962Water

HCID 6228Dimethylformamide

HCID 9590p-Fluoronitrobenzene

HCID 166653Hydride

HCID 137694562-(4-Chloro-2-fluoro-5-hydroxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

Product 1

HCID 199122141-[2-Fluoro-4-chloro-5-(4-nitrophenoxy)phenyl]-3-methyl-4-(difluoromethyl)-1H-1,2,4-triazol-5(4H)-one

Sources & evidence

ORD record: ord-ff0cdcc980b6483aac761e33a22003c6
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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