Acetic Acid → Ibuprofen, (+-)-

HRID 676676Notes

Reaction equation

HRID 676676 reaction equation
[CH3:19][CH2:20][O:21][CH2:22][CH3:23].[CH3:1][S:2][C:3]([C:4](=[O:5])[OH:6])([CH3:7])[c:8]1[cH:9][cH:10][c:11]([CH2:14][CH:15]([CH3:16])[CH3:17])[cH:12][cH:13]1.[CH3:24][C:25](=[O:26])[OH:27].[OH2:18].[Zn:28]>>[CH:3]([C:4](=[O:5])[OH:6])([CH3:7])[c:8]1[cH:9][cH:10][c:11]([CH2:14][CH:15]([CH3:16])[CH3:17])[cH:12][cH:13]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 3283Diethyl EtherHCID 23994ZincHCID 12917671HCID 12917671, compound

Product 1

HCID 3672Ibuprofen, (+-)-

Sources & evidence

ORD record
ord-1d46556af47c4f5283962c8eb8a9fa06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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