Acetone → 6-Chloro-1-methylthio-4-(4-nitrophenyl)-3,4-dihydroisoquinoline

Reaction equation

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

Participants

Reactant 3

HCID 180Acetone

HCID 6328Methyl iodide

HCID 1785265246-Chloro-1-mercapto-4-(4-nitrophenyl)-3,4-dihydroisoquinoline

Product 1

HCID 667722916-Chloro-1-methylthio-4-(4-nitrophenyl)-3,4-dihydroisoquinoline

Sources & evidence

ORD record: ord-91ce4d7c39b54291ab1605cd3cd8e950
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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