HRID1228879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1Oc1ccc(N)cc1

HCID21025174

未命名化合物

HCID69327667

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4OC(C)(C)C(=O)OC(C)(C)C)cc3)c2c1C

HCID22179696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ccf72f48a454b4b8a6aa71aecbfceff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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