1,2,3,4-Tetrahydro-7-nitroisoquinoline → (2-Isopropoxy-5-methanesulfonyl-phenyl)-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)-methanone

HRID 700448Notes

Reaction equation

HRID 700448 reaction equation
[CH:14]([CH3:15])([CH3:16])[O:17][c:18]1[c:19]([C:20](=[O:21])[OH:22])[cH:23][c:24]([S:27](=[O:28])(=[O:29])[CH3:30])[cH:25][cH:26]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:12]([cH:13]1)[CH2:11][NH:10][CH2:9][CH2:8]2>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:12]([cH:13]1)[CH2:11][N:10]([C:20]([c:19]1[c:18]([O:17][CH:14]([CH3:15])[CH3:16])[cH:26][cH:25][c:24]([S:27](=[O:28])(=[O:29])[CH3:30])[cH:23]1)=[O:21])[CH2:9][CH2:8]2

Participants

3

Reactant 2

HCID 64248331,2,3,4-Tetrahydro-7-nitroisoquinolineHCID 211002372-Isopropoxy-5-methylsulfonylbenzoic acid

Product 1

HCID 57445263(2-Isopropoxy-5-methanesulfonyl-phenyl)-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)-methanone

Sources & evidence

ORD record
ord-916c30962a864b9590061bcdf84b99e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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