HRID157090

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

结构：CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O

HCID4781

4-Butyl-1,2-diphenyl-3,5-Pyrazolidinedione

C19H20N2O2

HCID19660

Carbonate

CO3-2

HCID87885

Propanoic acid, 2,2-dimethyl-, chloromethyl ester

C6H11ClO2

PRODUCTS

生成物

结构：CCCCC1(COC(=O)C(C)(C)C)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O

HCID20391679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcbb872d564841168ea24ca436ee27d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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