HRID834624

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7505

Benzonitrile

C7H5N

2 次

HCID7912

Diisopropylamine

C6H15N

HCID24290

未命名化合物

HCID24350

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

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID14341294

未命名化合物

HCID17968161

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CNc1nc(C#N)ncc1C#CCN1CCc2ccccc2C1

HCID10247897

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c784584326804ab783dec990d5d3aa27
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:14][c:15]1[c:16]([NH:23][CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])[n:17][c:18]([C:21]#[N:22])[n:19][cH:20]1.[C:29]([P:30]([C:31]([CH3:32])([CH3:33])[CH3:34])[C:35]([CH3:36])([CH3:37])[CH3:38])([CH3:39])([CH3:40])[CH3:41].[C:58](#[N:59])[c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[C:66](#[N:67])[c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[CH2:1]([C:2]#[CH:3])[N:4]1[CH2:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[CH2:12][CH2:13]1.[CH:42]([NH:43][CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cu:74][I:75].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[Pd:55]([Cl:56])[Cl:57]>>[CH2:1]([C:2]#[C:3][c:15]1[c:16]([NH:23][CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])[n:17][c:18]([C:21]#[N:22])[n:19][cH:20]1)[N:4]1[CH2:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[CH2:12][CH2:13]1