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2-(1,3-Benzodioxol-5-yloxy)pyridine-3-carboxylic acid → (+)-2-[3-Fluoro-4-({[2-(3-cyano-phenoxy)-pyridine-3-carbonyl]-amino}-methyl)-phenoxy]-propionic acid tert-butyl ester

HRID 178013
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HRID 178013 반응식
[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24]([CH:25]([CH3:26])[O:27][c:28]1[cH:29][c:30]([F:36])[c:31]([CH2:34][NH2:35])[cH:32][cH:33]1)=[O:37].[C:1](#[N:2])[c:3]1[cH:4][c:5]([O:6][c:7]2[c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13][cH:14][n:15]2)[cH:16][cH:17][cH:18]1.[CH3:57][O:58][C:59](=[O:60])[CH2:61][O:62][c:63]1[cH:64][cH:65][c:66]([CH2:67][NH2:68])[c:69]([F:70])[cH:71]1.[O:38]1[c:39]2[cH:40][cH:41][c:42]([O:43][c:44]3[n:45][cH:46][cH:47][cH:48][c:49]3[C:50]([OH:51])=[O:52])[cH:53][c:54]2[O:55][CH2:56]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([O:6][c:7]2[c:8]([C:9](=[O:11])[NH:35][CH2:34][c:31]3[c:30]([F:36])[cH:29][c:28]([O:27][CH:25]([C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:37])[CH3:26])[cH:33][cH:32]3)[cH:12][cH:13][cH:14][n:15]2)[cH:16][cH:17][cH:18]1
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반응물 4

HCID 27368792-(1,3-Benzodioxol-5-yloxy)pyridine-3-carboxylic acidHCID 128493352-(3-Cyano-phenoxy)-nicotinic acidHCID 18174008Methyl 2-[4-(aminomethyl)-3-fluorophenoxy]acetateHCID 23529364(+)-2-(4-Aminomethyl-3-fluoro-phenoxy)-propionic acid tert-butyl ester

생성물 1

HCID 23529361(+)-2-[3-Fluoro-4-({[2-(3-cyano-phenoxy)-pyridine-3-carbonyl]-amino}-methyl)-phenoxy]-propionic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-64421ef596ab4668870c8f7fd03466ae
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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