Chloride → Ibuprofenal

HRID 1240758Notes

Reaction equation

HRID 1240758 reaction equation
[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]2([CH3:14])[CH2:12][O:13]2)[cH:9][cH:10]1.[Cl-:15].[Cl-:17].[Cl:26][CH2:27][Cl:28].[Mg+2:16].[c:18]1([S:19][CH3:20])[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([CH:12]=[O:13])[CH3:14])[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 312Chloride2×HCID 888Magnesium CationHCID 6344DichloromethaneHCID 7520ThioanisoleHCID 10330171Oxirane, 2-methyl-2-[4-(2-methylpropyl)phenyl]-

Product 1

HCID 595156Ibuprofenal

Sources & evidence

ORD record
ord-1e406cbf9f2f4bfc93d9793d7367926f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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