Ammonium → 2-Tert-butyl-5-aminobenzonitrile

Reaction equation

[C:1]([CH3:2])([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][CH2:21][OH:22].[CH:16]([O-:17])=[O:18].[NH4+:19]>>[C:1]([CH3:2])([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

Reactant 4

HCID 223Ammonium

HCID 283Formate

HCID 702Ethanol

HCID 57470259HCID 57470259, compound

Product 1

HCID 574702602-Tert-butyl-5-aminobenzonitrile

Sources & evidence

ORD record: ord-6d9841463cfb4861bc45951958e2bb8e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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