Acetone → Ibuprofen, (+-)-

HRID 1572225Notes

Reaction equation

HRID 1572225 reaction equation
[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([CH:12]=[O:13])[CH3:14])[cH:9][cH:10]1.[CH2:21]([Cl:22])[Cl:23].[CH3:24][C:25](=[O:26])[CH3:27].[OH2:20].[S:15]([OH:16])(=[O:17])(=[O:18])[OH:19]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([C:12](=[O:13])[OH:16])[CH3:14])[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 962WaterHCID 1118Sulfuric AcidHCID 6344DichloromethaneHCID 595156Ibuprofenal

Product 1

HCID 3672Ibuprofen, (+-)-

Sources & evidence

ORD record
ord-78450ba2395240f58ac60c356b0a8167
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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