Dimethyl Sulfoxide → 2,2-Bis-fluoromethyl-5-cyclohexyl-4-(1,2,4-triazol-1-yl)-pentan-3-one

Reaction equation

[CH3:26][S:27]([CH3:28])=[O:29].[CH:18]1([CH2:24][Br:25])[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]1.[F:4][CH2:5][C:6]([CH3:7])([C:8]([CH2:9][n:10]1[n:11][cH:12][n:13][cH:14]1)=[O:15])[CH2:16][F:17].[K+:2].[OH-:1].[OH2:3]>>[F:4][CH2:5][C:6]([CH3:7])([C:8]([CH:9]([n:10]1[n:11][cH:12][n:13][cH:14]1)[CH2:24][CH:18]1[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]1)=[O:15])[CH2:16][F:17]

Participants

Reactant 6

HCID 679Dimethyl Sulfoxide

HCID 813Potassium Cation

HCID 961Hydroxide

HCID 962Water

HCID 137636Cyclohexane, (bromomethyl)-

HCID 135325004-Fluoro-3-(fluoromethyl)-3-methyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

Product 1

HCID 134905552,2-Bis-fluoromethyl-5-cyclohexyl-4-(1,2,4-triazol-1-yl)-pentan-3-one

Sources & evidence

ORD record: ord-f1d9ba8804404a049932344296959d7d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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