Methanol → Ibuprofen methyl ester

HRID 1118169Notes

Reaction equation

HRID 1118169 reaction equation
[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([C:12](=[O:13])[OH:14])[CH3:15])[cH:9][cH:10]1.[CH3:21][OH:22].[S:16](=[O:17])(=[O:18])([OH:19])[OH:20]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([C:12](=[O:13])[O:14][CH3:21])[CH3:15])[cH:9][cH:10]1

Participants

4

Reactant 3

HCID 887MethanolHCID 1118Sulfuric AcidHCID 3672Ibuprofen, (+-)-

Product 1

HCID 109101Ibuprofen methyl ester

Sources & evidence

ORD record
ord-6cefe3e7cacb4d13bf18f891ef9f3d7c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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