1,2-Dichloroethane → Methyl 3-(3-hydroxyphenyl)-3-methylbutanoate

Reaction equation

[Al+3:22].[CH2:17]([SH:18])[CH2:19][SH:20].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:9]([CH2:10][C:11](=[O:12])[O:13][CH3:14])([CH3:15])[CH3:16])[cH:6][cH:7][cH:8]1.[Cl-:21].[Cl-:23].[Cl-:24].[Cl:25][CH2:26][CH2:27][Cl:28]>>[OH:2][c:3]1[cH:4][c:5]([C:9]([CH2:10][C:11](=[O:12])[O:13][CH3:14])([CH3:15])[CH3:16])[cH:6][cH:7][cH:8]1

Participants

Reactant 5

HCID 111,2-Dichloroethane

HCID 312Chloride3×

HCID 109021,2-Ethanedithiol

HCID 104727Aluminum Cation

HCID 57705813Methyl 3-(3-methoxyphenyl)-3-methylbutanoate

Product 1

HCID 57706158Methyl 3-(3-hydroxyphenyl)-3-methylbutanoate

Sources & evidence

ORD record: ord-2f1846d7bac7434ca888d5f75958b3e9
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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