Acetic Acid → 3-Chloroisoquinoline

HRID 296614

Reaction equation

HRID 296614 reaction equation
[CH3:17][C:18](=[O:19])[OH:20].[Cl:1][c:2]1[n:3][c:4]([Cl:12])[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[IH:14].[Na+:16].[OH-:15].[P:13]>>[cH:2]1[n:3][c:4]([Cl:12])[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 24404PhosphineHCID 24841Hydrogen iodideHCID 2986251,3-Dichloroisoquinoline

Product 1

HCID 6409683-Chloroisoquinoline

Sources & evidence

ORD record
ord-907e0af8c78548afabbc058370399c27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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