Acetonitrile → 4-Chloro-1(2H)-isoquinolone

HRID 98112

Reaction equation

HRID 98112 reaction equation
[CH3:20][C:21]#[N:22].[Cl:1][N:2]1[C:3](=[O:4])[CH2:5][CH2:6][C:7]1=[O:8].[c:9]1(=[O:19])[nH:10][cH:11][cH:12][c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]12>>[Cl:1][c:12]1[cH:11][nH:10][c:9](=[O:19])[c:18]2[c:13]1[cH:14][cH:15][cH:16][cH:17]2

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 102841(2H)-IsoquinolinoneHCID 31398Chlorosuccinimide

Product 1

HCID 8246494-Chloro-1(2H)-isoquinolone

Sources & evidence

ORD record
ord-840358d1d5fd486f8bf7e2b14a963c21
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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