(1-Ethylpiperidin-4-yl)methanamine → N-Cyclopropyl-3-(2-(cyclopropylmethyl)-4-(((1-ethylpiperidin-4-yl)methylamino)methyl)-1-oxo-1,2-dihydroisoquinolin-6-yl)-5-fluoro-4-methylbenzamide

반응식

[CH2:32]([CH3:33])[N:34]1[CH2:35][CH2:36][CH:37]([CH2:40][NH2:41])[CH2:38][CH2:39]1.[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[c:14]3[cH:15][c:16]4[c:17]([CH:29]=[O:30])[cH:18][n:19]([CH2:25][CH:26]5[CH2:27][CH2:28]5)[c:20](=[O:24])[c:21]4[cH:22][cH:23]3)[c:9]([CH3:13])[c:10]([F:12])[cH:11]2)=[O:31])[CH2:2][CH2:3]1>>[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[c:14]3[cH:15][c:16]4[c:17]([CH2:29][NH:41][CH2:40][CH:37]5[CH2:36][CH2:35][N:34]([CH2:32][CH3:33])[CH2:39][CH2:38]5)[cH:18][n:19]([CH2:25][CH:26]5[CH2:27][CH2:28]5)[c:20](=[O:24])[c:21]4[cH:22][cH:23]3)[c:9]([CH3:13])[c:10]([F:12])[cH:11]2)=[O:31])[CH2:2][CH2:3]1

참가 물질

반응물 2

HCID 2794704(1-Ethylpiperidin-4-yl)methanamine

HCID 57551841N-Cyclopropyl-3-(2-(cyclopropylmethyl)-4-formyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-5-fluoro-4-methylbenzamide

생성물 1

HCID 57551749N-Cyclopropyl-3-(2-(cyclopropylmethyl)-4-(((1-ethylpiperidin-4-yl)methylamino)methyl)-1-oxo-1,2-dihydroisoquinolin-6-yl)-5-fluoro-4-methylbenzamide

출처 및 근거

ORD 기록: ord-9e33228b0bf546dd8404b703eb735a57
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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