Water → 4-Bromomethyl-5-methyl-3-trifluoromethylisoxazole

Reaction equation

[CH3:18][CH2:19][O:20][CH2:21][CH3:22].[CH3:1][c:2]1[c:3]([CH2:11][OH:12])[c:4]([C:7]([F:8])([F:9])[F:10])[n:5][o:6]1.[OH2:17].[P:13]([Br:14])([Br:15])[Br:16]>>[CH3:1][c:2]1[c:3]([CH2:11][Br:14])[c:4]([C:7]([F:8])([F:9])[F:10])[n:5][o:6]1

Participants

Reactant 4

HCID 962Water

HCID 3283Diethyl Ether

HCID 24614Phosphorus tribromide

HCID 17862894(5-Methyl-3-trifluoromethylisoxazol-4-yl)-methanol

Product 1

HCID 178628854-Bromomethyl-5-methyl-3-trifluoromethylisoxazole

Sources & evidence

ORD record: ord-ef8cc32a76f14ddbbe6114e38e59754a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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