2-(1,3-Benzodioxol-5-yloxy)pyridine-3-carboxylic acid → 2-(Benzo[1,3]dioxol-5-yloxy)-N-[2-fluoro-4-(1-hydroxy-1-methyl-ethyl)-benzyl]-nicotinamide

반응식

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

참가 물질

반응물 2

HCID 27368792-(1,3-Benzodioxol-5-yloxy)pyridine-3-carboxylic acid

HCID 224816482-(4-Aminomethyl-3-fluoro-phenyl)-propan-2-ol

생성물 1

HCID 226123922-(Benzo[1,3]dioxol-5-yloxy)-N-[2-fluoro-4-(1-hydroxy-1-methyl-ethyl)-benzyl]-nicotinamide

출처 및 근거

ORD 기록: ord-469652802df34101a6d641e922c5ea09
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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