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

HRID 1227093Notes

Reaction equation

HRID 1227093 reaction equation
[CH:32]([CH3:33])([O:34][CH:35]([CH3:36])[CH3:37])[CH3:38].[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])[CH2:32][CH3:33])[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 230606116-Chloro-2-(4-methanesulfonylbenzyl)-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carbaldehyde

Product 1

HCID 230606666-chloro-3-(1-hydroxypropyl)-2-(4-methanesulfonylbenzyl)-4-phenyl-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-7822578d64df4d81b11c1a5abf7c4988
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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