HRID301202

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8021

Diethylamine

C4H11N

HCID11776

Triphenylphosphine

C18H15P

HCID24290

未命名化合物

HCID24350

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

CuI

HCID2779072

4-[(2-Methylbut-3-yn-2-yl)oxy]benzonitrile

C12H11NO

HCID19895696

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C#Cc1ccc(C(=O)OCc2ccccc2)cn1)Oc1ccc(C#N)cc1

HCID19895702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a95b13cad45e4409971b47800e8e3d19
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:51]([NH:52][CH2:53][CH3:54])[CH3:55].[CH3:18][C:19]([C:20]#[CH:21])([O:22][c:23]1[cH:24][cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30]1)[CH3:31].[Cl:58][Pd:59][Cl:60].[Cu:56][I:57].[I:1][c:2]1[n:3][cH:4][c:5]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:6][cH:7]1.[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[c:2]1([C:21]#[C:20][C:19]([CH3:18])([O:22][c:23]2[cH:24][cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30]2)[CH3:31])[n:3][cH:4][c:5]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:6][cH:7]1