Ammonium → 3-acetyl-2-(4-acetylbenzyl)-6-bromo-4-phenyl-2H-isoquinolin-1-one

HRID 1128244Notes

Reaction equation

HRID 1128244 reaction equation
[Br-:35].[C:1]([CH3:2])(=[O:3])[c:4]1[n:5]([CH2:22][c:23]2[cH:24][cH:25][c:26]([C:27](=[O:28])[N:29]([O:30][CH3:31])[CH3:32])[cH:33][cH:34]2)[c:6](=[O:21])[c:7]2[cH:8][cH:9][c:10]([Br:20])[cH:11][c:12]2[c:13]1-[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH3:36][Mg+:37].[Cl-:38].[NH4+:39].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1>>[C:1]([CH3:2])(=[O:3])[c:4]1[n:5]([CH2:22][c:23]2[cH:24][cH:25][c:26]([C:27](=[O:28])[CH3:36])[cH:33][cH:34]2)[c:6](=[O:21])[c:7]2[cH:8][cH:9][c:10]([Br:20])[cH:11][c:12]2[c:13]1-[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 8028TetrahydrofuranHCID 865995664-(3-acetyl-6-bromo-1-oxo-4-phenyl-1H-isoquinolin-2-ylmethyl)-N-methoxy-N-methylbenzamideHCID 178477777HCID 178477777, compound

Product 1

HCID 230609443-acetyl-2-(4-acetylbenzyl)-6-bromo-4-phenyl-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-ea9904cdf4a242259d3d20f79e5bbb4f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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