Benzene → Chloride

HRID 669449Notes

Reaction equation

HRID 669449 reaction equation
[CH3:1][C:2]([CH2:3][C:4](=[O:5])[OH:6])([CH3:7])[c:8]1[cH:9][cH:10][c:11]([CH3:14])[cH:12][cH:13]1.[O:15]=[CH:16][N:17]([CH3:18])[CH3:19].[S:20]([Cl:21])([Cl:22])=[O:23].[cH:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[CH3:1][C:2]([CH2:3][C:4](=[O:5])[OH:6])([CH3:7])[c:8]1[cH:9][cH:10][c:11]([CH3:14])[cH:12][cH:13]1.[Cl-:22]

Participants

6

Reactant 4

HCID 241BenzeneHCID 6228DimethylformamideHCID 24386Thionyl ChlorideHCID 38711363-methyl-3-(4-methylphenyl)butanoic acid

Product 2

HCID 312ChlorideHCID 38711363-methyl-3-(4-methylphenyl)butanoic acid

Sources & evidence

ORD record
ord-5cf1e54d12204a4f9a07105693aef6fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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