HRID203818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID27099

Copper(2+)

Cu+2

HCID70006

Pyrazole, 5-amino-1-phenyl-

C9H9N3

HCID89906

2-Bromo-5-methoxybenzoic acid

C8H7BrO3

PRODUCTS

生成物

结构：COc1ccc(Nc2ccnn2-c2ccccc2)c(C(=O)O)c1

HCID58958619

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64575741106646c7b92920bf6f2f68c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([O:11][CH3:12])[cH:9][cH:10]1.[C:13](=[O:14])([O-:15])[O-:16].[C:41]([O-:42])(=[O:43])[CH3:44].[C:46]([O-:47])(=[O:48])[CH3:49].[CH3:31][C:32](=[O:33])[OH:34].[Cu+2:45].[K+:17].[K+:18].[NH2:19][c:20]1[cH:21][cH:22][n:23][n:24]1-[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[OH2:40]>>[c:2]1([NH:19][c:20]2[cH:21][cH:22][n:23][n:24]2-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([O:11][CH3:12])[cH:9][cH:10]1