Acetone → Ibuprofenal

HRID 1571303Notes

Reaction equation

HRID 1571303 reaction equation
[BH3:35].[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([C:12](=[O:13])[Cl:14])[CH3:15])[cH:9][cH:10]1.[CH3:36][C:37](=[O:38])[CH3:39].[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>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([CH:12]=[O:13])[CH3:15])[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 6331BoraneHCID 11776TriphenylphosphineHCID 595157alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride

Product 1

HCID 595156Ibuprofenal

Sources & evidence

ORD record
ord-98cf5ee7b92d4dfe80b41d843d49262d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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