查数据/反应详情

HRID160554

反应详情

EQUATION

反应方程式

HRID 160554 的结构方程式

REACTANTS

反应物

2

结构：CN

Methylamine

CH5N

结构：COC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C1CCCCC1

未命名化合物

PRODUCTS

生成物

1

结构：CNC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C1CCCCC1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e349030e2583496e8eb271db7b8ce4c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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

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