Ammonia → N-(2-t-Butyl-5-carbamoylphenyl)-3-[4-(1-oxobutyl)-2-methoxyphenyl]octanamide

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([NH:14][C:15]([CH2:16][CH:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[c:23]2[c:24]([O:34][CH3:35])[cH:25][c:26]([C:29]([CH2:30][CH2:31][CH3:32])=[O:33])[cH:27][cH:28]2)=[O:36])[cH:7][c:8]([C:11](=[O:12])[OH:13])[cH:9][cH:10]1.[CH3:38][C:39]#[N:40].[NH3:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([NH:14][C:15]([CH2:16][CH:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[c:23]2[c:24]([O:34][CH3:35])[cH:25][c:26]([C:29]([CH2:30][CH2:31][CH3:32])=[O:33])[cH:27][cH:28]2)=[O:36])[cH:7][c:8]([C:11](=[O:12])[NH2:37])[cH:9][cH:10]1

참가 물질

반응물 3

HCID 222Ammonia

HCID 6342Acetonitrile

HCID 19348698N-(2-t-butyl-5-carboxyphenyl)-3-(4-butyryl-2-methoxyphenyl)octanamide

생성물 1

HCID 19348622N-(2-t-Butyl-5-carbamoylphenyl)-3-[4-(1-oxobutyl)-2-methoxyphenyl]octanamide

출처 및 근거

ORD 기록: ord-3019a3c541634d96ab92d0f6422dbb73
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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