Acetic Acid → 2-(1-Chloro-cyclopropyl)-1-(2-chlorophenyl)-3-(5-methylsulphonyl-1,2,4-triazol-1-yl)-propan-2-ol

HRID 211593Notes

Reaction equation

HRID 211593 reaction equation
[CH3:27][C:28]([OH:29])=[O:30].[Cl:1][C:2]1([C:5]([CH2:6][c:7]2[c:8]([Cl:13])[cH:9][cH:10][cH:11][cH:12]2)([CH2:14][n:15]2[n:16][cH:17][n:18][c:19]2[S:20][CH3:21])[OH:22])[CH2:3][CH2:4]1.[Na+:26].[OH-:25].[OH:23][OH:24]>>[Cl:1][C:2]1([C:5]([CH2:6][c:7]2[c:8]([Cl:13])[cH:9][cH:10][cH:11][cH:12]2)([CH2:14][n:15]2[n:16][cH:17][n:18][c:19]2[S:20]([CH3:21])(=[O:25])=[O:29])[OH:22])[CH2:3][CH2:4]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 923Sodium ionHCID 961HydroxideHCID 185067551H-1,2,4-Triazole-1-ethanol, alpha-(1-chlorocyclopropyl)-alpha-((2-chlorophenyl)methyl)-5-(methylthio)-

Product 1

HCID 542027302-(1-Chloro-cyclopropyl)-1-(2-chlorophenyl)-3-(5-methylsulphonyl-1,2,4-triazol-1-yl)-propan-2-ol

Sources & evidence

ORD record
ord-d47b2140c5c949f39b2aef88bcafd4be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…