Acetonitrile → Methyl 4-formyl-3-nitrobenzoate

HRID 2320301Notes

Reaction equation

HRID 2320301 reaction equation
[Br:9][CH2:10][c:11]1[c:12]([N+:21](=[O:22])[O-:23])[cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[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]>>[O:5]=[CH:10][c:11]1[c:12]([N+:21](=[O:22])[O-:23])[cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 82029Methyl morpholine oxideHCID 13399987Methyl 4-(bromomethyl)-3-nitrobenzoate

Product 1

HCID 3457222Methyl 4-formyl-3-nitrobenzoate

Sources & evidence

ORD record
ord-559d3627acfe4f129278fd1fb173356d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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