Chloride → Ibuprofen, (+-)-

HRID 2155084Notes

Reaction equation

HRID 2155084 reaction equation
[C:35]=[O:36].[CH2:37]([C:39]([CH3:38])=[O:40])[CH3:41].[Cl-:14].[Cl:1][CH:2]([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH2:10][CH:11]([CH3:12])[CH3:13])[cH:8][cH:9]1.[ClH:15].[c:16]1([P:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[CH:2]([CH3:3])([c:4]1[cH:5][cH:6][c:7]([CH2:10][CH:11]([CH3:12])[CH3:13])[cH:8][cH:9]1)[C:39]([OH:36])=[O:40]

Participants

7

Reactant 6

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 712FormaldehydeHCID 6569Methyl Ethyl KetoneHCID 11776TriphenylphosphineHCID 30173041-(1-Chloroethyl)-4-(2-methylpropyl)benzene

Product 1

HCID 3672Ibuprofen, (+-)-

Sources & evidence

ORD record
ord-6095f8e5587e4705bb15fca2f75906dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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