Acetic Acid → HCID 178482356, compound

Reaction equation

[CH3:24][C:25](=[O:26])[OH:27].[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8]([NH:12][CH3:13])=[N:7][CH2:6][CH:5]2[c:14]1[cH:15][cH:16][c:17]([N+:20]([O-:21])=[O:22])[cH:18][cH:19]1.[ClH:23].[Fe:28]>>[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8]([NH:12][CH3:13])=[N:7][CH2:6][CH:5]2[c:14]1[cH:15][cH:16][c:17]([NH2:20])[cH:18][cH:19]1

Participants

Reactant 4

HCID 176Acetic Acid

HCID 313Hydrochloric Acid

HCID 23925Iron

HCID 1784823576-chloro-N-methyl-4-(4-nitrophenyl)-3,4-dihydroisoquinolin-1-amine

Product 1

HCID 178482356HCID 178482356, compound

Sources & evidence

ORD record: ord-80ae13f088ba40499e52acd3cf8380f8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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