HRID173456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID10487111

未命名化合物

结构：CCOP(=O)(CN)CC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC

HCID178476916

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(CC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC)CN1C(=O)CC(CC(C)C)C1=O

HCID178476904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e84b11e64e44575a00a5a68300f5216
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

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