Ethyl 3-(3-cyanophenyl)-3-oxopropanoate → {3-[3-(3-Cyano-phenyl)-3-oxo-propionylamino]-4'-trifluoromethoxy-biphenyl-4-yl}-carbamic acid tert.-butyl ester

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:25])[cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]2)[cH:12][cH:13]1)=[O:26].[CH2:27]([O:29][C:30](=[O:28])[CH2:31][C:32](=[O:33])[c:34]1[cH:35][c:36]([C:40]#[N:41])[cH:37][cH:38][cH:39]1)[CH3:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:25][C:30](=[O:29])[CH2:31][C:32](=[O:33])[c:34]2[cH:35][c:36]([C:40]#[N:41])[cH:37][cH:38][cH:39]2)[cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]2)[cH:12][cH:13]1)=[O:26]

참가 물질

반응물 2

HCID 11622629Ethyl 3-(3-cyanophenyl)-3-oxopropanoate

HCID 69592772Carbamic acid,[3-amino-4'-(trifluoromethoxy)[1,1'-biphenyl]-4-yl]-,1,1-dimethylethyl ester

생성물 1

HCID 86588012{3-[3-(3-Cyano-phenyl)-3-oxo-propionylamino]-4'-trifluoromethoxy-biphenyl-4-yl}-carbamic acid tert.-butyl ester

출처 및 근거

ORD 기록: ord-f2c4895df20c4669b82438a0b1f4b4a0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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