Ammonium → 5-Amino-2-(2-methylpropyl)benzonitrile

HRID 1147779

Reaction equation

HRID 1147779 reaction equation
[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[c:6]([C:7]#[N:8])[cH:9][c:10]([N+:13]([O-:14])=[O:15])[cH:11][cH:12]1.[CH3:20][OH:21].[CH:16]([O-:17])=[O:18].[NH4+:19].[OH2:22].[Zn:23]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[c:6]([C:7]#[N:8])[cH:9][c:10]([NH2:13])[cH:11][cH:12]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 283FormateHCID 887MethanolHCID 962WaterHCID 23994ZincHCID 222280302-Isobutyl-5-nitrobenzonitrile

Product 1

HCID 222279325-Amino-2-(2-methylpropyl)benzonitrile

Sources & evidence

ORD record
ord-ad7d07256e5b42829cd97cfdd3c6c3bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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