Water → Phenol, 2-(1,1-dimethylethyl)-4-(1,1,3,3-tetramethylbutyl)-

HRID 2313474Notes

Reaction equation

HRID 2313474 reaction equation
[C:16]([CH3:17])([CH3:18])([CH3:19])[OH:20].[C:1]([CH3:2])([CH3:3])([CH2:4][C:5]([CH3:6])([CH3:7])[CH3:8])[c:9]1[cH:10][cH:11][c:12]([OH:15])[cH:13][cH:14]1.[F:21][C:22]([F:23])([F:24])[C:25]([OH:26])=[O:27].[OH2:28]>>[C:1]([CH3:2])([CH3:3])([CH2:4][C:5]([CH3:6])([CH3:7])[CH3:8])[c:9]1[cH:10][cH:11][c:12]([OH:15])[c:13]([C:16]([CH3:17])([CH3:18])[CH3:19])[cH:14]1

Participants

5

Reactant 4

HCID 962WaterHCID 6386tert-ButanolHCID 6422Trifluoroacetic acidHCID 88144-Tert-octylphenol

Product 1

HCID 605573Phenol, 2-(1,1-dimethylethyl)-4-(1,1,3,3-tetramethylbutyl)-

Sources & evidence

ORD record
ord-2a425897033542c397ebb2f93c3d4d53
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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