2-[[2-(3,5-Difluorophenyl)acetyl]amino]propanoic acid → 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[3-oxo-2-(2-phenylethyl)-1,4-dihydroisoquinolin-4-yl]propanamide

반응식

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

참가 물질

반응물 2

HCID 219429782-[[2-(3,5-Difluorophenyl)acetyl]amino]propanoic acid

HCID 223121294-Amino-2-phenethyl-1,2,3,4-tetrahydroisoquinoline-3-one

생성물 1

HCID 102781372-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[3-oxo-2-(2-phenylethyl)-1,4-dihydroisoquinolin-4-yl]propanamide

출처 및 근거

ORD 기록: ord-d7b793917b5b458e9b90fc335bc9c9ea
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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