Methyl 2-(4-amino-3-fluorophenoxy)propanoate → 2-(4-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-3-fluoro-phenoxy)-propionic acid methyl ester

반응식

[CH3:29][O:30][C:31]([CH:32]([CH3:33])[O:34][c:35]1[cH:36][c:37]([F:42])[c:38]([NH2:41])[cH:39][cH:40]1)=[O:43].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH:13]([C:14](=[O:15])[OH:16])[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:23][c:24]([F:28])[c:25]([F:27])[cH:26]3)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH:13]([C:14](=[O:16])[NH:41][c:38]2[c:37]([F:42])[cH:36][c:35]([O:34][CH:32]([C:31]([O:30][CH3:29])=[O:43])[CH3:33])[cH:40][cH:39]2)[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:23][c:24]([F:28])[c:25]([F:27])[cH:26]3)[cH:6][cH:7]1

참가 물질

반응물 2

HCID 61716435Methyl 2-(4-amino-3-fluorophenoxy)propanoate

HCID 66619321[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-cyclohexyl-acetic acid

생성물 1

HCID 686454952-(4-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-3-fluoro-phenoxy)-propionic acid methyl ester

출처 및 근거

ORD 기록: ord-05c02a5393dd48fc9be2895589ecba57
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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