查数据/反应详情

HRID1134776

反应详情

EQUATION

反应方程式

HRID 1134776 的结构方程式

REACTANTS

反应物

2

结构：C=CCON(C(C)(C)C)C(C)(C)C(=O)NC(C)(C)C

未命名化合物

结构：CC(C)(C)NC(=O)C(C)(C)N(O)C(C)(C)C

未命名化合物

PRODUCTS

生成物

1

结构：C=CC=CCON(C(C)(C)C)C(C)(C)C(=O)NC(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-491e1c7ce41847518d3ee412c2c9a579
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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

AIchem 开放数据计划：mail@huagongshe.com