Dimethyl Sulfoxide → 1-(2,6-difluoro-4-nitrophenyl)-3-methyl-1H-1,2,4-triazole

Reaction equation

[C:19](=[O:20])([OH:21])[O-:22].[CH3:1][c:2]1[n:3][nH:4][cH:5][n:6]1.[CH3:25][S:26]([CH3:27])=[O:28].[F:7][c:8]1[c:9]([F:18])[c:10]([F:17])[cH:11][c:12]([N+:14](=[O:15])[O-:16])[cH:13]1.[Na+:23].[OH2:24]>>[CH3:1][c:2]1[n:3][n:4](-[c:9]2[c:8]([F:7])[cH:13][c:12]([N+:14](=[O:15])[O-:16])[cH:11][c:10]2[F:17])[cH:5][n:6]1

Participants

Reactant 6

HCID 679Dimethyl Sulfoxide

HCID 769Bicarbonate Ion

HCID 923Sodium Ion

HCID 962Water

HCID 27827931,2,3-Trifluoro-5-nitrobenzene

HCID 178433329HCID 178433329, compound

Product 1

HCID 668602451-(2,6-difluoro-4-nitrophenyl)-3-methyl-1H-1,2,4-triazole

Sources & evidence

ORD record: ord-ea87fd11011645589f9e44da565232e1
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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