HRID88728

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID104967

Cesium(1+)

Cs+

2 次

HCID59019959

未命名化合物

HCID86060771

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(c2ccc(C#CC(=O)Nc3ccc(-c4ccc(Cl)cc4)cc3)cc2)CC1

HCID68816272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21b4b198059b4167bbc19fb459e890ff
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

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