HRID196765

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

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID69993

4-Methyloxybenzyl chloride

C8H9ClO

结构：CC(C)CC(NS(=O)(=O)c1ccc(Cl)cc1)C(N)=O

HCID3564753

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(C(CC(C)C)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1

HCID17747069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d5880c436b3433f92a52fc6f829b4f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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