查数据/反应详情

HRID295990

反应详情

EQUATION

反应方程式

HRID 295990 的结构方程式

REACTANTS

反应物

2

结构：CCO

Ethanol

C2H6O

结构：CC(C)(C)OC(=O)NC1CC(C(=O)NC(=O)OCc2ccccc2)N(C(C)(C)C)C1

未命名化合物

PRODUCTS

生成物

1

结构：CC(C)(C)OC(=O)NC1CC(C(N)=O)N(C(C)(C)C)C1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97ec295db6a44b259fce76fa2ad479ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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

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