Benzene → HCID 178454539, 화합물

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 4532027Tert-butyl 2-amino-3-methylbutanoate

HCID 54366555t-butyl 2-[N-(3-oxobutanoyl)amino]acetate

생성물 1

HCID 178454539HCID 178454539, 화합물

출처 및 근거

ORD 기록: ord-f71319475c7b45ff851902cbc82f5498
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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