1,4-Dioxane → Acetic Acid 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl)-benzyl Ester

HRID 204338

Reaction equation

HRID 204338 reaction equation
[Br:16][c:17]1[c:18]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[c:24]([Br:28])[cH:25][cH:26][cH:27]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[c:12]([cH:13][cH:14]1)[C:11](=[O:15])[NH:10][CH2:9][CH2:8]2.[CH3:29][NH:30][CH:31]1[CH2:32][CH2:33][CH2:34][CH2:35][CH:36]1[NH:37][CH3:38].[Cu:45]([I:46])[I:47].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[c:12]([cH:13][cH:14]1)[C:11](=[O:15])[N:10]([c:24]1[c:18]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[c:17]([Br:16])[cH:27][cH:26][cH:25]1)[CH2:9][CH2:8]2

Participants

6

Reactant 5

HCID 312751,4-DioxaneHCID 83717Copper iodideHCID 5510741-N,2-N-dimethylcyclohexane-1,2-diamineHCID 592164132,6-Dibromobenzyl acetateHCID 598366606-(tert-Butyl)-3,4-dihydroisoquinolin-1(2H)-one

Product 1

HCID 59216426Acetic Acid 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl)-benzyl Ester

Sources & evidence

ORD record
ord-c236498dd325486ca53b2787f00fa2b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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