Benzene → 5,7-Bis(1,1-dimethylethyl)-3-phenyl-(3H)-benzofuran-2-one

Reaction equation

[C:5]([CH3:6])([CH3:7])([CH3:8])[c:9]1[cH:10][c:11]([C:20]([CH3:21])([CH3:22])[CH3:23])[c:12]2[c:13]([cH:19]1)[CH:14]([OH:18])[C:15](=[O:17])[O:16]2.[Cl:1][Al:2]([Cl:3])[Cl:4].[ClH:30].[OH2:31].[cH:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[C:5]([CH3:6])([CH3:7])([CH3:8])[c:9]1[cH:10][c:11]([C:20]([CH3:21])([CH3:22])[CH3:23])[c:12]2[c:13]([cH:19]1)[CH:14]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[C:15](=[O:17])[O:16]2

Participants

Reactant 5

HCID 241Benzene

HCID 313Hydrochloric Acid

HCID 962Water

HCID 24012Aluminum Chloride

HCID 68508215,7-Di-tert-butyl-3-hydroxy-2-benzofuranone

Product 1

HCID 64553565,7-Bis(1,1-dimethylethyl)-3-phenyl-(3H)-benzofuran-2-one

Sources & evidence

ORD record: ord-09854775408c45cbb4813bc4d84d6d77
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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