Acetic Acid → 4-Amino-3-methylbenzonitrile

HRID 180792

Reaction equation

HRID 180792 reaction equation
[C:13]([OH:14])(=[O:15])[CH3:16].[CH3:17][CH2:18][O:19][C:20]([CH3:21])=[O:22].[CH3:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[N+:10]([O-:11])=[O:12].[Fe:23]>>[CH3:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[NH2:10]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 8857Ethyl AcetateHCID 23925IronHCID 28014343-Methyl-4-nitrobenzonitrile

Product 1

HCID 70103164-Amino-3-methylbenzonitrile

Sources & evidence

ORD record
ord-ccbab9de9e2f425793010cbe8f4269e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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