Bromide ion → 5-Bromo-2-isobutoxybenzonitrile

HRID 2125147Notes

Reaction equation

HRID 2125147 reaction equation
[Br-:27].[Br:1][c:2]1[cH:3][cH:4][c:5]([OH:10])[c:6]([C:7]#[N:8])[cH:9]1.[C:16](=[O:17])([O-:18])[O-:19].[CH2:11]([CH:12]([CH3:13])[CH3:14])[Br:15].[CH2:28]([N+:29]([CH2:30][CH2:31][CH2:32][CH3:33])([CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH3:44].[K+:20].[K+:21].[O:22]=[CH:23][N:24]([CH3:25])[CH3:26]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([O:10][CH2:11][CH:12]([CH3:13])[CH3:14])[c:6]([C:7]#[N:8])[cH:9]1

Participants

8

Reactant 7

HCID 259Bromide ionHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 65551-Bromo-2-methylpropaneHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 27570145-Bromo-2-hydroxybenzonitrile

Product 1

HCID 665851345-Bromo-2-isobutoxybenzonitrile

Sources & evidence

ORD record
ord-8b93ae15214e4452a2633fe1c4720e28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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