Dichloromethane → [3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl] N,N-dimethylcarbamodithioate

HRID 299067Notes

Reaction equation

[CH3:20][N:21]([C:22](=[S:23])[Cl:24])[CH3:25].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[Cl:33][CH2:34][Cl:35].[F:1][c:2]1[c:3]([C:9]([CH2:10][n:11]2[n:12][cH:13][n:14][cH:15]2)([CH:16]([CH3:17])[SH:18])[OH:19])[cH:4][cH:5][c:6]([F:8])[cH:7]1>>[F:1][c:2]1[c:3]([C:9]([CH2:10][n:11]2[n:12][cH:13][n:14][cH:15]2)([CH:16]([CH3:17])[S:18][C:22]([N:21]([CH3:20])[CH3:25])=[S:23])[OH:19])[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

Reactant 4

HCID 6344Dichloromethane

HCID 8471Triethylamine

HCID 27871Dimethylthiocarbamoyl chloride

HCID 9882302(2RS,3RS)-2-(2,4-difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol

Product 1

HCID 178477517[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl] N,N-dimethylcarbamodithioate

Sources & evidence

ORD record: ord-4a3c20db5f344db98c8784776e49925f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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