HRID1549138

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

结构：CN1Cc2cc(-c3ccc(CC(NC(=O)C4(NC(=O)OC(C)(C)C)CCOCC4)C(N)=O)cc3)ccc2C1=O

HCID68430984

未命名化合物

PRODUCTS

生成物

结构：CN1Cc2cc(-c3ccc(CC(C#N)NC(=O)C4(NC(=O)OC(C)(C)C)CCOCC4)cc3)ccc2C1=O

HCID68430059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7843324af73545b987a30cbdeb530007
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Cl:40][CH2:41][Cl:42].[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][c:13]3[c:17]([cH:18][cH:19]2)[C:16](=[O:20])[N:15]([CH3:21])[CH2:14]3)[cH:9][cH:10]1)[NH:22][C:23](=[O:24])[C:25]1([NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1)=[O:39]>>[N:1]#[C:2][CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][c:13]3[c:17]([cH:18][cH:19]2)[C:16](=[O:20])[N:15]([CH3:21])[CH2:14]3)[cH:9][cH:10]1)[NH:22][C:23](=[O:24])[C:25]1([NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1