Acetic Acid → 2-Bromo-1-oxoindan-5-carbonitrile

HRID 679732

Reaction equation

HRID 679732 reaction equation
[Br:13].[BrH:14].[CH3:15][C:16](=[O:17])[OH:18].[O:1]=[C:2]1[CH2:3][CH2:4][c:5]2[cH:6][c:7]([C:11]#[N:12])[cH:8][cH:9][c:10]21.[OH2:19]>>[O:1]=[C:2]1[CH:3]([Br:14])[CH2:4][c:5]2[cH:6][c:7]([C:11]#[N:12])[cH:8][cH:9][c:10]21

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 260Hydrogen Bromide2×HCID 962WaterHCID 3128961-oxo-2,3-dihydro-1H-indene-5-carbonitrile

Product 1

HCID 184072382-Bromo-1-oxoindan-5-carbonitrile

Sources & evidence

ORD record
ord-73b63d60c0474e8bb0d1ba54bb27e0d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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