Chloride → 2,2-Diethyl-5-hydroxy-6,7-dichloro-1-indanone

Reaction equation

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

Participants

Reactant 4

HCID 312Chloride3×

HCID 8900Heptane

HCID 104727Aluminum Cation

HCID 203584712,2-Diethyl-5-methoxy-6,7-dichloro-1-indanone

Product 1

HCID 203584452,2-Diethyl-5-hydroxy-6,7-dichloro-1-indanone

Sources & evidence

ORD record: ord-9cf3f294228d4046a9b81c2587343913
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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