HCID 23090220, 화합물 → HCID 57551759, 화합물

반응식

[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.[NH:32]1[CH2:33][CH2:34][NH:35][CH:36]([CH2:39][OH:40])[CH2:37][CH2:38]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][N:32]5[CH2:33][CH2:34][NH:35][CH:36]([CH2:39][OH:40])[CH2:37][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 23090220HCID 23090220, 화합물

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

생성물 1

HCID 57551759HCID 57551759, 화합물

출처 및 근거

ORD 기록: ord-3c45063382a34961a32a7f5d03746fb6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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