Acetic Acid → Isobutylene

HRID 106443Notes

Reaction equation

HRID 106443 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[OH:5].[C:6]([CH3:7])(=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13].[CH3:15][C:16](=[O:17])[OH:18].[OH2:14]>>[C:1](=[CH2:2])([CH3:3])[CH3:4].[C:6]([CH3:7])(=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13]

Participants

6

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 6386tert-ButanolHCID 10908tert-Butyl acetate

Product 2

HCID 8255IsobutyleneHCID 10908tert-Butyl acetate

Sources & evidence

ORD record
ord-d435f1de869e41abbe766f22634e693e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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