Acetonitrile → 2-[4-(2-Chloro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-5,5,5-trifluoro-4-trifluoromethyl-pentanoic acid methyl ester

반응식

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

참가 물질

반응물 2

HCID 6342Acetonitrile

HCID 866352382-[2-(2-Chloro-phenoxy)-3-ethoxycarbonyl-allylamino]-5,5,5-trifluoro-4-trifluoromethyl-pentanoic acid methyl ester

생성물 1

HCID 866352372-[4-(2-Chloro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-5,5,5-trifluoro-4-trifluoromethyl-pentanoic acid methyl ester

출처 및 근거

ORD 기록: ord-f1d571fa799e48208ba7b2765945dc00
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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