Imidazole → 4-Amino-2-(1-imidazolyl)-5-nitrobenzonitrile

Reaction equation

[NH2:1][c:2]1[cH:3][c:4]([F:13])[c:5]([C:6]#[N:7])[cH:8][c:9]1[N+:10](=[O:11])[O-:12].[O:19]=[CH:20][N:21]([CH3:22])[CH3:23].[OH2:24].[nH:14]1[cH:15][n:16][cH:17][cH:18]1>>[NH2:1][c:2]1[cH:3][c:4](-[n:14]2[cH:15][n:16][cH:17][cH:18]2)[c:5]([C:6]#[N:7])[cH:8][c:9]1[N+:10](=[O:11])[O-:12]

Participants

Reactant 4

HCID 795Imidazole

HCID 962Water

HCID 6228Dimethylformamide

HCID 104197934-Amino-2-fluoro-5-nitrobenzonitrile

Product 1

HCID 104437844-Amino-2-(1-imidazolyl)-5-nitrobenzonitrile

Sources & evidence

ORD record: ord-5fac1c551de049ee81022e135ca79844
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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