Ethyl Acetate → (3-{[6-(4-Chloro-phenyl)-pyridine-2-carbonyl]-amino}-phenoxy)-acetic acid ethyl ester

반응식

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

참가 물질

반응물 3

HCID 8857Ethyl Acetate

HCID 412308Ethyl 2-(3-aminophenoxy)acetate

HCID 247301366-(4-Chlorophenyl)picolinic acid

생성물 1

HCID 59654844(3-{[6-(4-Chloro-phenyl)-pyridine-2-carbonyl]-amino}-phenoxy)-acetic acid ethyl ester

출처 및 근거

ORD 기록: ord-cd9770c1108443128bd123d5fe20d45a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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