HRID164537

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID69273

Benzoic acid, 4-iodo-, methyl ester

C8H7IO2

HCID83717

Copper iodide (CuI2)

CuI2

HCID59783448

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C#CCN2C(=O)c3ccccc3Oc3ccccc32)cc1

HCID59783655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8955dcfc44cf4e08b37102dbf3934b42
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([C:2]#[CH:3])[N:4]1[c:5]2[c:6]([cH:16][cH:17][cH:18][cH:19]2)[O:7][c:8]2[c:9]([cH:12][cH:13][cH:14][cH:15]2)[C:10]1=[O:11].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH3:44][C:45]#[N:46].[Cu:47]([I:48])[I:49].[I:20][c:21]1[cH:22][cH:23][c:24]([C:25](=[O:26])[O:27][CH3:28])[cH:29][cH:30]1>>[CH2:1]([C:2]#[C:3][c:21]1[cH:22][cH:23][c:24]([C:25](=[O:26])[O:27][CH3:28])[cH:29][cH:30]1)[N:4]1[c:5]2[c:6]([cH:16][cH:17][cH:18][cH:19]2)[O:7][c:8]2[c:9]([cH:12][cH:13][cH:14][cH:15]2)[C:10]1=[O:11]