Acetic Acid → 2-Isopropyl-3-methoxyphenol

HRID 201790Notes

Reaction equation

HRID 201790 reaction equation
[CH3:19][C:20](=[O:21])[OH:22].[CH:15]([O-:16])=[O:17].[NH4+:18].[OH2:14].[OH:1][C:2]([CH3:3])([CH3:4])[c:5]1[c:6]([OH:13])[cH:7][cH:8][cH:9][c:10]1[O:11][CH3:12]>>[CH:2]([CH3:3])([CH3:4])[c:5]1[c:6]([OH:13])[cH:7][cH:8][cH:9][c:10]1[O:11][CH3:12]

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 223AmmoniumHCID 283FormateHCID 962WaterHCID 595986452-(1-Hydroxy-1-methyl-ethyl)-3-methoxy-phenol

Product 1

HCID 144655792-Isopropyl-3-methoxyphenol

Sources & evidence

ORD record
ord-cf5a1f08f2284374be2fb6c4a7fdb721
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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