HRID121113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7859

Propargyl alcohol

C3H4O

HCID8021

Diethylamine

C4H11N

HCID8028

Tetrahydrofuran

C4H8O

HCID83717

Copper iodide (CuI2)

CuI2

结构：COc1nc2c(cc1I)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2C

HCID5276330

未命名化合物

PRODUCTS

生成物

结构：COc1nc2c(cc1C#CCO)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2C

HCID5276332

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98bb84943bb242cf9db44344c9734fa8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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