Chloride → Sulfentrazone

Reaction equation

[CH3:20][S:21]([Cl:22])(=[O:23])=[O:24].[CH3:26][N+:27]([CH3:28])([CH3:29])[CH3:30].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Cl-:25].[NH2:1][c:2]1[c:3]([Cl:19])[cH:4][c:5]([Cl:18])[c:6](-[n:8]2[n:9][c:10]([CH3:17])[n:11]([CH:14]([F:15])[F:16])[c:12]2=[O:13])[cH:7]1>>[NH:1]([c:2]1[c:3]([Cl:19])[cH:4][c:5]([Cl:18])[c:6](-[n:8]2[n:9][c:10]([CH3:17])[n:11]([CH:14]([F:15])[F:16])[c:12]2=[O:13])[cH:7]1)[S:21]([CH3:20])(=[O:23])=[O:24]

Participants

Reactant 5

HCID 312Chloride

HCID 1140Toluene

HCID 6380Tetramethylammonium

HCID 31297Methanesulfonyl chloride

HCID 110559662-(5-Amino-2,4-dichlorophenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one

Product 1

HCID 86369Sulfentrazone

Sources & evidence

ORD record: ord-1a56bae2170c47ea8db191e2d5a0bf39
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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