Acetonitrile → Methyl 3-formyl-2-nitrobenzoate

HRID 1541535Notes

Reaction equation

HRID 1541535 reaction equation
[Br:9][CH2:10][c:11]1[c:12]([N+:21](=[O:22])[O-:23])[c:13]([C:14](=[O:15])[O:16][CH3:17])[cH:18][cH:19][cH:20]1.[CH3:1][N+:2]1([O-:3])[CH2:4][CH2:6][O:5][CH2:7][CH2:8]1.[CH3:24][C:25]#[N:26].[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32]>>[O:5]=[CH:10][c:11]1[c:12]([N+:21](=[O:22])[O-:23])[c:13]([C:14](=[O:15])[O:16][CH3:17])[cH:18][cH:19][cH:20]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 82029Methyl morpholine oxideHCID 22509333Methyl 3-(bromomethyl)-2-nitrobenzoate

Product 1

HCID 44549250Methyl 3-formyl-2-nitrobenzoate

Sources & evidence

ORD record
ord-76ba88d8376d4364bc6d0ac4ea5079ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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