Acetate → 1,3-Di-tert-butylbenzene

HRID 1547318Notes

Reaction equation

HRID 1547318 reaction equation
[CH3:1][S:2]([O:3][c:6]1[c:7]([C:16]([CH3:17])([CH3:18])[CH3:19])[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:10][cH:11]1)(=[O:4])=[O:5].[CH3:21][C:22](=[O:23])[O-:24].[CH3:25][OH:26].[Mg:27].[NH4+:20].[OH2:28]>>[cH:6]1[c:7]([C:16]([CH3:17])([CH3:18])[CH3:19])[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:10][cH:11]1

Participants

7

Reactant 6

HCID 175AcetateHCID 223AmmoniumHCID 887MethanolHCID 962WaterHCID 5462224MagnesiumHCID 445427162,4-Di-tert-butylphenyl methanesulfonate

Product 1

HCID 1368101,3-Di-tert-butylbenzene

Sources & evidence

ORD record
ord-76c4b97d2cd544fea6d7f0fd7f84f670
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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