Acetone → Ibuprofen, (+-)-

HRID 157036Notes

Reaction equation

HRID 157036 reaction equation
[C:1](=[O:2])=[O:3].[C:24](=[O:25])=[O:26].[CH3:19][C:20](=[O:21])[CH3:22].[CH3:30][C:31]([CH3:32])=[O:33].[CH3:4][CH:5]([CH3:6])[CH2:7][c:8]1[cH:9][cH:10][c:11]([CH:14]([CH3:15])[C:16]([OH:17])=[O:18])[cH:12][cH:13]1.[N:27]#[N:28].[OH2:23].[OH2:29]>>[CH3:4][CH:5]([CH3:6])[CH2:7][c:8]1[cH:9][cH:10][c:11]([CH:14]([CH3:15])[C:16](=[O:17])[OH:18])[cH:12][cH:13]1

Participants

6

Reactant 5

HCID 180Acetone2×HCID 280Carbon Dioxide2×HCID 947NitrogenHCID 962Water2×HCID 3672Ibuprofen, (+-)-

Product 1

HCID 3672Ibuprofen, (+-)-

Sources & evidence

ORD record
ord-d2668a28a6074fca8198bffac84fa9ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…