Potassium Cation → (2RS,3RS)-2-(2,4-difluorophenyl)-3-(5-methyl-2-oxo-1,3-dioxol-4-yl)methylthio-1-(1H-1,2,4-triazol-1-yl)-2-butanol

HRID 199051Notes

Reaction equation

HRID 199051 reaction equation
[Br:20][CH2:21][c:22]1[o:23][c:24](=[O:28])[o:25][c:26]1[CH3:27].[C:29](=[O:30])([O-:31])[O-:32].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[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.[K+:33].[K+:34].[OH2:46]>>[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][CH2:21][c:22]2[o:23][c:24](=[O:28])[o:25][c:26]2[CH3:27])[OH:19])[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 9882302(2RS,3RS)-2-(2,4-difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanolHCID 107741414-(Bromomethyl)-5-methyl-1,3-dioxol-2-one

Product 1

HCID 20079608(2RS,3RS)-2-(2,4-difluorophenyl)-3-(5-methyl-2-oxo-1,3-dioxol-4-yl)methylthio-1-(1H-1,2,4-triazol-1-yl)-2-butanol

Sources & evidence

ORD record
ord-0cb6d1d368514a089f1ddf1e814086f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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