Chloride → 1,1,1,3,3-Pentafluoro-2-(4-ethoxyphenyl)-3-chloropropan-2-ol

Reaction equation

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

Participants

Reactant 5

HCID 312Chloride3×

HCID 6212Chloroform

HCID 66011-Chloro-1,1,3,3,3-pentafluoro-2-propanone

HCID 7674Phenetole

HCID 104727Aluminum Cation

Product 1

HCID 138807621,1,1,3,3-Pentafluoro-2-(4-ethoxyphenyl)-3-chloropropan-2-ol

Sources & evidence

ORD record: ord-3ca89c82ad474f958d8eb5f02fd9259a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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