Benzene → N-[4-chloro-2-fluoro-5-(1-methoxycarbonyl-cyclobutylthio)-phenyl]-3-trifluoromethylglutaric acid monoamide

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 157442444-(Trifluoromethyl)dihydro-2H-pyran-2,6(3H)-dione

HCID 544812611-(5-Amino-2-chloro-4-fluorophenylthio)-cyclobutanecarboxylic acid methyl ester

생성물 1

HCID 21749659N-[4-chloro-2-fluoro-5-(1-methoxycarbonyl-cyclobutylthio)-phenyl]-3-trifluoromethylglutaric acid monoamide

출처 및 근거

ORD 기록: ord-6cde7901d9a34ec7a374edf64849cb1d
출처 데이터셋: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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