Acetonitrile → Methyl 2-chloro-3-formyl-4-methylsulfonylbenzoate

Reaction equation

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

Participants

Reactant 3

HCID 6342Acetonitrile

HCID 82029Methyl morpholine oxide

HCID 10969914Methyl 3-bromomethyl-2-chloro-4-methylsulfonylbenzoate

Product 1

HCID 18517410Methyl 2-chloro-3-formyl-4-methylsulfonylbenzoate

Sources & evidence

ORD record: ord-9dc8102aa6cc49bda8f8bd33cd007aed
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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