Diisopropyl Ether → 6-chloro-3-hydroxymethyl-2-(4-methanesulfonylbenzyl)-4-phenyl-2H-isoquinolin-1-one

HRID 291671Notes

Reaction equation

HRID 291671 reaction equation
[CH:33]([O:34][CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[cH:3][c:4]2[c:5](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:6]([C:24](=[O:25])[OH:26])[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:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:6]([CH2:24][OH: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

Participants

3

Reactant 2

HCID 7914Diisopropyl EtherHCID 230607786-Chloro-2-(4-methanesulfonylbenzyl)-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic acid

Product 1

HCID 230608726-chloro-3-hydroxymethyl-2-(4-methanesulfonylbenzyl)-4-phenyl-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-4a72fd48accd4f2b8f04959a5d7cd6eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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