HRID158911

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID62576

Benzyl bromoacetate

C9H9BrO2

结构：CC(C(=O)OC(C)(C)C)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O

HCID22017175

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)OC(C)(C)C)N1CCC(N(CC(=O)OCc2ccccc2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O

HCID178460487

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41dbab31823c4276bb7bfb4570fd274c
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH3:8])[N:9]1[C:10](=[O:29])[CH:11]([NH:14][S:15](=[O:16])(=[O:17])[c:18]2[cH:19][c:20]3[cH:21][cH:22][c:23]([Cl:28])[cH:24][c:25]3[cH:26][cH:27]2)[CH2:12][CH2:13]1)=[O:30].[C:31](=[O:32])([O-:33])[O-:34].[CH2:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[O:44][C:45]([CH2:46][Br:47])=[O:48].[K+:35].[K+:36].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH3:8])[N:9]1[C:10](=[O:29])[CH:11]([N:14]([S:15](=[O:16])(=[O:17])[c:18]2[cH:19][c:20]3[cH:21][cH:22][c:23]([Cl:28])[cH:24][c:25]3[cH:26][cH:27]2)[CH2:46][C:45]([O:44][CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)=[O:48])[CH2:12][CH2:13]1)=[O:30]