Acetone → Ibuprofen, (+-)-

HRID 100973Notes

Reaction equation

HRID 100973 reaction equation
[C:29](=[O:30])=[O:31].[C:6](=[O:7])=[O:8].[CH3:24][C:25](=[O:26])[CH3:27].[CH3:2][C:3]([CH3:4])=[O:5].[CH3:9][CH:10]([CH3:11])[CH2:12][c:13]1[cH:14][cH:15][c:16]([CH:19]([CH3:20])[C:21]([OH:22])=[O:23])[cH:17][cH:18]1.[N:32]#[N:33].[OH2:1].[OH2:28].[OH2:34]>>[CH3:9][CH:10]([CH3:11])[CH2:12][c:13]1[cH:14][cH:15][c:16]([CH:19]([CH3:20])[C:21](=[O:22])[OH:23])[cH:17][cH:18]1

Participants

6

Reactant 5

HCID 180Acetone2×HCID 280Carbon Dioxide2×HCID 947NitrogenHCID 962Water3×HCID 3672Ibuprofen, (+-)-

Product 1

HCID 3672Ibuprofen, (+-)-

Sources & evidence

ORD record
ord-67a689093d6e44a29ce542d02e176ad1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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