HRID2150746

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID27099

Copper(2+)

Cu+2

HCID767895

未命名化合物

HCID1090341

1-isopropyl-1H-pyrazol-5-amine

C6H11N3

PRODUCTS

生成物

结构：CCN(CC)S(=O)(=O)c1ccc(Nc2ccnn2C(C)C)c(C(=O)O)c1

HCID54426707

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4c5e68961ab4843845cad102e5d02c2
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

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