Water → Ethyl 1,4-dichloro-7-isoquinolinecarboxylate

HRID 164754Notes

Reaction equation

HRID 164754 reaction equation
[Cl:1][c:2]1[cH:3][nH:4][c:5](=[O:17])[c:6]2[cH:7][c:8]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[cH:9][cH:10][c:11]12.[OH2:18].[P:19]([Cl:20])([Cl:21])([Cl:22])=[O:23]>>[Cl:1][c:2]1[cH:3][n:4][c:5]([Cl:21])[c:6]2[cH:7][c:8]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[cH:9][cH:10][c:11]12

Participants

4

Reactant 3

HCID 962WaterHCID 24813Phosphorus oxychlorideHCID 18698325Ethyl 4-chloro-1-oxo-1,2-dihydro-7-isoquinolinecarboxylate

Product 1

HCID 18698389Ethyl 1,4-dichloro-7-isoquinolinecarboxylate

Sources & evidence

ORD record
ord-7264183b974b4b2c84a580d9ea22ccc4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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