查数据/反应详情

HRID2157281

反应详情

EQUATION

反应方程式

HRID 2157281 的结构方程式

REACTANTS

反应物

2

结构：CC(C)(C)CCN

3,3-Dimethylbutylamine

C6H15N

结构：CC1CC(C(Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O

未命名化合物

PRODUCTS

生成物

1

结构：CC(CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCC(C)(C)C

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f51a27b768de4736ba57e5001bc382b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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

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