Benzene → 3,3-Dimethyl-1-indanone

HRID 692298Notes

Reaction equation

HRID 692298 reaction equation
[Al+3:15].[CH3:1][C:2]([CH2:3][C:4](=[O:5])[OH:6])([CH3:7])[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[Cl-:14].[Cl-:16].[Cl-:17].[cH:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1>>[CH3:1][C:2]1([CH3:7])[CH2:3][C:4](=[O:6])[c:13]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2

Participants

5

Reactant 4

HCID 241BenzeneHCID 312Chloride3×HCID 13890beta-Phenylisovaleric acidHCID 104727Aluminum Cation

Product 1

HCID 3046283,3-Dimethyl-1-indanone

Sources & evidence

ORD record
ord-b75f86fad3814a8a9ffbae1d57545036
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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