Chloride → 6,7-Dichloro-5-hydroxy-2,2-dimethyl-indan-1-one

Reaction equation

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

Participants

Reactant 4

HCID 312Chloride3×

HCID 8900Heptane

HCID 104727Aluminum Cation

HCID 123955652,2-Dimethyl-5-methoxy-6,7-dichloro-1-indanone

Product 1

HCID 123955876,7-Dichloro-5-hydroxy-2,2-dimethyl-indan-1-one

Sources & evidence

ORD record: ord-81fec5032f6d40ad9b2d423bf4d669dd
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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