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

반응식

[CH:32]([O:33][CH:34]([CH3:35])[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])[CH3:32])[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

참가 물질

반응물 2

HCID 7914Diisopropyl Ether

HCID 230606116-Chloro-2-(4-methanesulfonylbenzyl)-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carbaldehyde

생성물 1

HCID 230606776-chloro-3-(1-hydroxyethyl)-2-(4-methanesulfonylbenzyl)-4-phenyl-2H-isoquinolin-1-one

출처 및 근거

ORD 기록: ord-cdde179e2c9b4e7aa2e6652875ebd2bd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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