Acetic Acid → Ibuprofen, (+-)-

HRID 1141031Notes

Reaction equation

HRID 1141031 reaction equation
[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]([C:12](=[O:13])[OH:14])([CH3:15])[S:16][CH3:17])[cH:9][cH:10]1.[CH3:19][C:20](=[O:21])[OH:22].[OH2:18].[Zn:23]>>[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

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 23994ZincHCID 12917671HCID 12917671, compound

Product 1

HCID 3672Ibuprofen, (+-)-

Sources & evidence

ORD record
ord-dc7fd0dc58504986b7c9805f69783815
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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