Acetic Acid → Ibuprofen, (+-)-

HRID 163826Notes

Reaction equation

HRID 163826 reaction equation
[C:27]([O:28][OH:29])(=[O:30])[CH3:31].[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.[CH3:15][C:16]([OH:17])=[O:18].[CH3:19][c:20]1[cH:21][cH:22][cH:23][c:24]([CH3:25])[n:26]1.[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([C:12]([OH:13])=[O:17])[CH3:14])[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 6585Peracetic AcidHCID 79372,6-LutidineHCID 8857Ethyl AcetateHCID 595156Ibuprofenal

Product 1

HCID 3672Ibuprofen, (+-)-

Sources & evidence

ORD record
ord-aa67e95202d74f6fba187a32ee5fd1fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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