Acetic Acid → Benzonitrile, 3-bromo-4-hydroxy-5-nitro-

HRID 184854

Reaction equation

HRID 184854 reaction equation
[CH3:12][C:13](=[O:14])[OH:15].[CH3:21][CH2:22][O:23][C:24](=[O:25])[CH3:26].[N:16](=[O:17])[O-:18].[Na+:19].[OH2:20].[OH:1][c:2]1[c:3]([Br:4])[cH:5][c:6]([C:10]#[N:11])[cH:7][c:8]1[Br:9]>>[OH:1][c:2]1[c:3]([Br:4])[cH:5][c:6]([C:10]#[N:11])[cH:7][c:8]1[N+:16](=[O:17])[O-:18]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 8857Ethyl AcetateHCID 15531Bromoxynil

Product 1

HCID 3014048Benzonitrile, 3-bromo-4-hydroxy-5-nitro-

Sources & evidence

ORD record
ord-b22b9cf33aa844b387d2eef051fa7f31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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