HRID290804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID2738683

未命名化合物

HCID2776479

1-[4-(Bromomethyl)Phenyl]-1H-Pyrazole

C10H9BrN2

PRODUCTS

生成物

结构：O=C1NCCCCC1N(Cc1ccc(-n2cccn2)cc1)S(=O)(=O)c1ccc(Cl)cc1

HCID69489249

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-066f87d9eea34b37bae65809ca45c2f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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