Chloride → 6-chloro-3-(1-hydroxybutyl)-2-(4-methanesulfonylbenzyl)-4-phenyl-2H-isoquinolin-1-one

HRID 1228132Notes

Reaction equation

HRID 1228132 reaction equation
[C:44]([O:45][CH2:46][CH3:47])(=[O:48])[CH3:49].[CH2:33]([CH2:34][CH3:35])[Mg+:36].[CH3:50][CH2:51][O:52][CH2:53][CH3:54].[CH:37]([O:38][CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl-:32].[Cl:1][c:2]1[cH:3][c:4]2[c:5](-[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:6]([CH:24]=[O:25])[n:7]([CH2:13][c:14]3[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[CH3:23])[cH:18][cH:19]3)[c:8](=[O:12])[c:9]2[cH:10][cH:11]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5](-[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:6]([CH:24]([OH:25])[CH2:33][CH2:34][CH3:35])[n:7]([CH2:13][c:14]3[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[CH3:23])[cH:18][cH:19]3)[c:8](=[O:12])[c:9]2[cH:10][cH:11]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 3283Diethyl EtherHCID 7914Diisopropyl EtherHCID 8857Ethyl AcetateHCID 230606116-Chloro-2-(4-methanesulfonylbenzyl)-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carbaldehydeHCID 178455847HCID 178455847, compound

Product 1

HCID 230606476-chloro-3-(1-hydroxybutyl)-2-(4-methanesulfonylbenzyl)-4-phenyl-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-5c9ce5420aa6442c9608396279606ca6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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