Bromide ion → Ibuprofen, (+-)-

HRID 198289Notes

Reaction equation

HRID 198289 reaction equation
[Br-:8].[Br:1][CH:2]([C:3](=[O:4])[O-:5])[CH3:6].[CH2:26]1[O:27][CH2:28][CH2:29][CH2:30]1.[CH2:9]([CH:10]([CH3:11])[CH3:12])[c:13]1[cH:14][cH:15][c:16]([Mg+:19])[cH:17][cH:18]1.[Na+:7].[OH2:20].[S:21](=[O:22])(=[O:23])([OH:24])[OH:25]>>[CH:2]([C:3](=[O:4])[OH:5])([CH3:6])[c:16]1[cH:15][cH:14][c:13]([CH2:9][CH:10]([CH3:11])[CH3:12])[cH:18][cH:17]1

Participants

8

Reactant 7

HCID 259Bromide ionHCID 923Sodium ionHCID 962WaterHCID 1118Sulfuric AcidHCID 8028TetrahydrofuranHCID 14535398Alpha-bromopropionateHCID 178440989HCID 178440989, compound

Product 1

HCID 3672Ibuprofen, (+-)-

Sources & evidence

ORD record
ord-95de92e5825f4750bb72a2dd4bba5cc4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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