HRID148782

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3301

Ethylenediamine

C2H8N2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID83717

Copper iodide (CuI2)

CuI2

HCID87073

p-Iodocumene

C9H11I

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCc1cccc(CC)c1-c1cc2c(CC#N)c[nH]c2cn1

HCID67152507

未命名化合物

PRODUCTS

生成物

结构：CCc1cccc(CC)c1-c1cc2c(CC#N)cn(-c3ccc(C(C)C)cc3)c2cn1

HCID67152418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28879782645d4f70aef6d203cc244568
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

[C:33](=[O:34])([O-:35])[O-:36].[CH2:1]([CH3:2])[c:3]1[c:4](-[c:11]2[cH:12][c:13]3[c:14]([cH:15][n:16]2)[nH:17][cH:18][c:19]3[CH2:20][C:21]#[N:22])[c:5]([CH2:9][CH3:10])[cH:6][cH:7][cH:8]1.[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[Cs+:37].[Cs+:38].[Cu:49]([I:50])[I:51].[I:23][c:24]1[cH:25][cH:26][c:27]([CH:30]([CH3:31])[CH3:32])[cH:28][cH:29]1.[NH2:39][CH2:40][CH2:41][NH2:42].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1>>[CH2:1]([CH3:2])[c:3]1[c:4](-[c:11]2[cH:12][c:13]3[c:14]([cH:15][n:16]2)[n:17](-[c:24]2[cH:25][cH:26][c:27]([CH:30]([CH3:31])[CH3:32])[cH:28][cH:29]2)[cH:18][c:19]3[CH2:20][C:21]#[N:22])[c:5]([CH2:9][CH3:10])[cH:6][cH:7][cH:8]1