4'-Fluoro(1,1'-biphenyl)-4-amine → Methyl 5-chloro-2-[[2-[2-[4-(4-fluorophenyl)anilino]-2-oxoethoxy]acetyl]amino]benzoate

반응식

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

참가 물질

반응물 2

HCID 94624'-Fluoro(1,1'-biphenyl)-4-amine

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

생성물 1

HCID 66877322Methyl 5-chloro-2-[[2-[2-[4-(4-fluorophenyl)anilino]-2-oxoethoxy]acetyl]amino]benzoate

출처 및 근거

ORD 기록: ord-90492a5392b8493d87b3b92e07117e6b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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