Ammonium → 2-(5-Amino-6-chloro-1-oxoisoquinolin-2-yl)propanamide

HRID 117811Notes

Reaction equation

HRID 117811 reaction equation
[CH3:21][CH2:22][OH:23].[Cl-:24].[Cl:1][c:2]1[c:3]([N+:18]([O-:19])=[O:20])[c:4]2[cH:5][cH:6][n:7]([CH:13]([C:14](=[O:15])[NH2:16])[CH3:17])[c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[Fe:27].[NH4+:25].[OH2:26]>>[Cl:1][c:2]1[c:3]([NH2:18])[c:4]2[cH:5][cH:6][n:7]([CH:13]([C:14](=[O:15])[NH2:16])[CH3:17])[c:8](=[O:12])[c:9]2[cH:10][cH:11]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 962WaterHCID 23925IronHCID 666489152-(6-Chloro-5-nitro-1-oxoisoquinolin-2-yl)propanamide

Product 1

HCID 666489922-(5-Amino-6-chloro-1-oxoisoquinolin-2-yl)propanamide

Sources & evidence

ORD record
ord-d4668ac7300048a39f64a7cd1c0f5aa5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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