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Methanol → 3-(3-Fluoro-4-{1-[6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-heptyloxy}-benzoylamino)-propionic acid

HRID 169212
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인쇄 미리보기

반응식

HRID 169212 반응식
[CH3:3][O:4][C:5]([CH2:6][CH2:7][NH:8][C:9]([c:10]1[cH:11][c:12]([F:40])[c:13]([O:16][CH:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[c:24]2[cH:25][n:26][c:27](-[c:30]3[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]3)[cH:28][cH:29]2)[cH:14][cH:15]1)=[O:41])=[O:42].[CH3:43][OH:44].[Na+:2].[OH-:1]>>[O:4]=[C:5]([CH2:6][CH2:7][NH:8][C:9]([c:10]1[cH:11][c:12]([F:40])[c:13]([O:16][CH:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[c:24]2[cH:25][n:26][c:27](-[c:30]3[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]3)[cH:28][cH:29]2)[cH:14][cH:15]1)=[O:41])[OH:42]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 673417153-(3-Fluoro-4-{1-[6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-heptyloxy}-benzoylamino)-propionic acid methyl ester

생성물 1

HCID 597294493-(3-Fluoro-4-{1-[6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-heptyloxy}-benzoylamino)-propionic acid

출처 및 근거

ORD 기록
ord-761515851db74e2ab1be1f3250aafe58
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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