HRID666898

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

HCID57417700

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(-n2nc(C)cc2Nc2cc(F)c(F)cc2C(=O)O)n1

HCID22320356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3514324c1444b3d873cf54256dd799f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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].[CH3:1][c:2]1[n:3][n:4](-[c:8]2[n:9][c:10]([CH3:14])[cH:11][cH:12][cH:13]2)[c:5]([NH2:7])[cH:6]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]>>[CH3:1][c:2]1[n:3][n:4](-[c:8]2[n:9][c:10]([CH3:14])[cH:11][cH:12][cH:13]2)[c:5]([NH:7][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:6]1