DL-alanine → 2-[[7-(4-Fluorophenoxy)-4-hydroxyisoquinoline-3-carbonyl]amino]propanoic acid

반응식

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

참가 물질

반응물 3

HCID 602DL-alanine

HCID 887Methanol

HCID 667129667-(4-Fluoro-phenoxy)-4-hydroxy-isoquinoline-3-carboxylic acid butyl ester

생성물 1

HCID 667131232-[[7-(4-Fluorophenoxy)-4-hydroxyisoquinoline-3-carbonyl]amino]propanoic acid

출처 및 근거

ORD 기록: ord-b96b0847dfca411e8cc74018ef1a1cbd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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