Acetate → 4-Cyanobenzaldehyde

HRID 1140062Notes

Reaction equation

HRID 1140062 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][NH2:8])[cH:9][cH:10]1.[CH3:12][C:13]([O-:14])=[O:15].[CH3:17][C:18](=[O:19])[OH:20].[NH4+:11].[OH2:16]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:7]=[O:14])[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 962WaterHCID 826084-(Aminomethyl)benzonitrile

Product 1

HCID 660424-Cyanobenzaldehyde

Sources & evidence

ORD record
ord-fd000b9f89bf428e8cf7b0bf6062e487
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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