Methanol → 6-chloro-2-(4-methanesulfonylbenzyl)-3-pentanoyl-4-phenyl-2H-isoquinolin-1-one

HRID 2332014Notes

Reaction equation

HRID 2332014 reaction equation
[CH3:43][OH:44].[CH:36]([O:37][CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:1][c:2]1[cH:3][c:4]2[c:5](-[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:6]([CH:24]([CH2:25][CH2:26][CH2:27][CH3:28])[OH:29])[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:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:6]([C:24]([CH2:25][CH2:26][CH2:27][CH3:28])=[O:29])[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

4

Reactant 3

HCID 887MethanolHCID 7914Diisopropyl EtherHCID 230605736-chloro-3-(1-hydroxypentyl)-2-(4-methanesulfonylbenzyl)-4-phenyl-2H-isoquinolin-1-one

Product 1

HCID 230608916-chloro-2-(4-methanesulfonylbenzyl)-3-pentanoyl-4-phenyl-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-b7c42e2228db476b896a5f43af8901bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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