Dichloromethane → 2-(4-tert-butyl-phenyl)-8-[(pyridin-4-ylmethyl)-amino]-3,4-dihydro-2H-isoquinolin-1-one

반응식

[Cl:31][CH2:32][Cl:33].[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[C:10](=[O:12])[N:9]([c:13]1[cH:14][cH:15][c:16]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:17][cH:18]1)[CH2:8][CH2:7]2.[n:23]1[cH:24][cH:25][c:26]([CH:29]=[O:30])[cH:27][cH:28]1>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[C:10](=[O:12])[N:9]([c:13]1[cH:14][cH:15][c:16]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:17][cH:18]1)[CH2:8][CH2:7]2)[CH2:29][c:26]1[cH:25][cH:24][n:23][cH:28][cH:27]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 133894-Pyridinecarboxaldehyde

HCID 691593468-amino-2-(4-tert-butyl-phenyl)-3,4-dihydro-2H-isoquinolin-1-one

생성물 1

HCID 116396022-(4-tert-butyl-phenyl)-8-[(pyridin-4-ylmethyl)-amino]-3,4-dihydro-2H-isoquinolin-1-one

출처 및 근거

ORD 기록: ord-67a167be2f1c4a9a90e2ac0c495208bf
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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