HRID1144433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID11979145

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N)nc2c1C(=O)CC(c1ccccc1-c1ccccc1)C2

HCID58269344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2dd713f9de574eb0bf658c0fd8432edf
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:30](=[O:31])([O-:32])[O-:33].[CH3:36][N:37]([CH3:38])[C:39](=[O:40])[CH3:41].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[K+:34].[K+:35].[NH2:1][c:2]1[n:3][c:4]2[c:9]([c:10]([CH3:12])[n:11]1)[C:8](=[O:13])[CH2:7][CH:6]([c:14]1[c:15]([Br:20])[cH:16][cH:17][cH:18][cH:19]1)[CH2:5]2.[OH:21][B:22]([OH:23])[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[NH2:1][c:2]1[n:3][c:4]2[c:9]([c:10]([CH3:12])[n:11]1)[C:8](=[O:13])[CH2:7][CH:6]([c:14]1[c:15](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:16][cH:17][cH:18][cH:19]1)[CH2:5]2