HRID1127126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID10559

2-Iodobutane

C4H9I

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)[nH]c2nc(C)nn12

HCID136041272

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C(C)CC)c2nc(C)nn12

HCID67009199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3cc6742cbdf41d3b154750c2773b6dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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