2-(2-((4-Chloro-2-(methoxycarbonyl)phenyl)amino)-2-oxoethoxy)acetic acid → Methyl 5-chloro-2-[[2-[2-[5-(3,5-dimethylphenyl)-2-methylanilino]-2-oxoethoxy]acetyl]amino]benzoate

반응식

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

참가 물질

반응물 2

HCID 510399542-(2-((4-Chloro-2-(methoxycarbonyl)phenyl)amino)-2-oxoethoxy)acetic acid

HCID 610252723',4,5'-Trimethylbiphenyl-3-amine

생성물 1

HCID 66876844Methyl 5-chloro-2-[[2-[2-[5-(3,5-dimethylphenyl)-2-methylanilino]-2-oxoethoxy]acetyl]amino]benzoate

출처 및 근거

ORD 기록: ord-6ab587009bd64affaaeec5ea5b27d05a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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