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

HRID 284508Notes

Reaction equation

HRID 284508 reaction equation
[C:45]([O:46][CH2:47][CH3:48])(=[O:49])[CH3:50].[CH2:33]([CH2:34][CH2:35][CH3:36])[Mg+:37].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH:38]([O:39][CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[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][CH2:35][CH3:36])[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 7914Diisopropyl EtherHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 230606116-Chloro-2-(4-methanesulfonylbenzyl)-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carbaldehydeHCID 178448190HCID 178448190, compound

Product 1

HCID 230605736-chloro-3-(1-hydroxypentyl)-2-(4-methanesulfonylbenzyl)-4-phenyl-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-ea5f1d8d33e6414385f60fe0aabdca9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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