HRID1573998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID20350

4-Methyl-3-cyclohexene-1-carboxylic Acid

C8H12O2

结构：COC(=O)c1sc(C#CC(C)(C)C)cc1NC1CCC2(CC1)OCCO2

HCID58114149

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(C#CC(C)(C)C)cc1N(C(=O)C1CC=C(C)CC1)C1CCC2(CC1)OCCO2

HCID58114118

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3edfd7d02fed4aaaa3172602a7eb147d
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

[CH3:12][O:13][C:14](=[O:15])[c:16]1[s:17][c:18]([C:32]#[C:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:19][c:20]1[NH:21][CH:22]1[CH2:23][CH2:24][C:25]2([O:26][CH2:27][CH2:28][O:29]2)[CH2:30][CH2:31]1.[CH3:2][C:3]1=[CH:4][CH2:5][CH:6]([C:9](=[O:10])[OH:11])[CH2:7][CH2:8]1.[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[Cl-:1].[Cl:44][CH:45]([Cl:46])[CH3:47]>>[CH3:2][C:3]1=[CH:4][CH2:5][CH:6]([C:9](=[O:11])[N:21]([c:20]2[c:16]([C:14]([O:13][CH3:12])=[O:15])[s:17][c:18]([C:32]#[C:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:19]2)[CH:22]2[CH2:23][CH2:24][C:25]3([O:26][CH2:27][CH2:28][O:29]3)[CH2:30][CH2:31]2)[CH2:7][CH2:8]1