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Ethanol → 3-Bromo-5-nitrobenzonitrile

HRID 180003
Notes
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Reaction equation

HRID 180003 reaction equation
[CH3:23][CH2:24][O:25][C:26]([CH3:27])=[O:28].[CH3:29][CH2:30][OH:31].[N:19]([O-:20])=[O:21].[NH2:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([N+:11](=[O:12])[O-:13])[cH:8][c:9]1[Br:10].[Na+:22].[OH2:32].[S:14](=[O:15])(=[O:16])([OH:17])[OH:18]>>[cH:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([N+:11](=[O:12])[O-:13])[cH:8][c:9]1[Br:10]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium IonHCID 946NitriteHCID 962WaterHCID 1118Sulfuric AcidHCID 8857Ethyl AcetateHCID 871732-Amino-3-bromo-5-nitrobenzonitrile

Product 1

HCID 51524253-Bromo-5-nitrobenzonitrile

Sources & evidence

ORD record
ord-8d81e7bc2b024121867dfacc9042c560
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes