HRID2156015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

结构：Cc1ccc(-c2ccc(CC(NC(=O)C3(NC(=O)OC(C)(C)C)CCOCC3)C(N)=O)cc2)cc1C#N

HCID72328345

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2ccc(CC(C#N)NC(=O)C3(NC(=O)OC(C)(C)C)CCOCC3)cc2)cc1C#N

HCID72328320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-779cea2bfcb94784904767df8fba0b8f
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

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