HRID2336787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID27099

Copper(2+)

Cu+2

HCID737171

2-Chloro-4,5-difluorobenzoic acid

C7H3ClF2O2

HCID33783621

3-Ethyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine

C10H12N4

PRODUCTS

生成物

结构：CCc1cc(Nc2cc(F)c(F)cc2C(=O)O)n(-c2ccccn2)n1

HCID22320138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-956bd6d2c3f349f3ab8071f3047f1481
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:27](=[O:28])([O-:29])[O-:30].[C:39]([O-:40])(=[O:41])[CH3:42].[C:44]([O-:45])(=[O:46])[CH3:47].[CH2:1]([CH3:2])[c:3]1[n:4][n:5](-[c:9]2[n:10][cH:11][cH:12][cH:13][cH:14]2)[c:6]([NH2:8])[cH:7]1.[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[Cl:15][c:16]1[c:17]([C:18](=[O:19])[OH:20])[cH:21][c:22]([F:26])[c:23]([F:25])[cH:24]1.[ClH:33].[Cu+2:43].[K+:31].[K+:32].[OH2:48]>>[CH2:1]([CH3:2])[c:3]1[n:4][n:5](-[c:9]2[n:10][cH:11][cH:12][cH:13][cH:14]2)[c:6]([NH:8][c:16]2[c:17]([C:18](=[O:19])[OH:20])[cH:21][c:22]([F:26])[c:23]([F:25])[cH:24]2)[cH:7]1