Benzene → 1-(2-Fluoro-4-chloro-5-isopropoxycarbonylphenyl)aminocarbonyl-2-ethoxycarbonylpiperidine

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 27517Ethyl piperidine-2-carboxylate

HCID 13519895Isopropyl 2-chloro-4-fluoro-5-isocyanatobenzoate

생성물 1

HCID 155899051-(2-Fluoro-4-chloro-5-isopropoxycarbonylphenyl)aminocarbonyl-2-ethoxycarbonylpiperidine

출처 및 근거

ORD 기록: ord-6011e19c3fd94cad9255c7b32347fe36
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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