Chloride → 2-ethoxycarbonylbutanoic acid N-butyl-N-(2'-cyano-biphenyl-4-ylmethyl)-amide

반응식

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

참가 물질

반응물 3

HCID 312Chloride

HCID 108989792-(Ethoxycarbonyl)butanoic acid

HCID 153383534'-Butylaminomethyl-2-cyanobiphenyl

생성물 1

HCID 538521992-ethoxycarbonylbutanoic acid N-butyl-N-(2'-cyano-biphenyl-4-ylmethyl)-amide

출처 및 근거

ORD 기록: ord-61dc8306ce094f5282c335c43200629e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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