Dimethyl Sulfoxide → 2-{3-[1,1-Dimethyl-2-(2-trifluoromethyloxiranyl)ethyl]phenyl}-[1,3]dioxane

HRID 2345410Notes

Reaction equation

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

Participants

Reactant 4

HCID 679Dimethyl Sulfoxide

HCID 30165Iodide Ion

HCID 74499Trimethylsulfoxonium

HCID 578099664-(3-[1,3]Dioxan-2-ylphenyl)-1,1,1-trifluoro-4-methylpentan-2-one

Product 1

HCID 578100032-{3-[1,1-Dimethyl-2-(2-trifluoromethyloxiranyl)ethyl]phenyl}-[1,3]dioxane

Sources & evidence

ORD record: ord-7ed92c0e39054ac18dab99b4ecb37225
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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