HRID2122806

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

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID27099

Copper(2+)

Cu+2

HCID89906

2-Bromo-5-methoxybenzoic acid

C8H7BrO3

HCID770643

3-tert-Butyl-1-(2-methylphenyl)-1H-pyrazol-5-amine

C14H19N3

PRODUCTS

生成物

结构：COc1ccc(Nc2cc(C(C)(C)C)nn2-c2ccccc2C)c(C(=O)O)c1

HCID10068286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfaecae500fa4b9a8c06cdd7b1b3b1cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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