HRID1142368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID31374

Dimethylacetamide

C4H9NO

HCID82408

Isopropyl sulfonyl chloride

C3H7ClO2S

HCID166653

Hydride

H-

结构：CC(C)N1C(=O)NCC1c1cccc(-c2cccc(S(C)(=O)=O)c2)c1

HCID67000948

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1C(=O)N(S(=O)(=O)C(C)C)CC1c1cccc(-c2cccc(S(C)(=O)=O)c2)c1

HCID44547895

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e8288c9f1154455bcf6499133412a85
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:36][N:37]([CH3:38])[C:39](=[O:40])[CH3:41].[CH:1]([CH3:2])([CH3:3])[N:4]1[C:5](=[O:25])[NH:6][CH2:7][CH:8]1[c:9]1[cH:10][c:11](-[c:15]2[cH:16][c:17]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:18][cH:19][cH:20]2)[cH:12][cH:13][cH:14]1.[CH:28]([CH3:29])([CH3:30])[S:31](=[O:32])(=[O:33])[Cl:34].[H-:26].[Na+:27].[OH2:35]>>[CH:1]([CH3:2])([CH3:3])[N:4]1[C:5](=[O:25])[N:6]([S:31]([CH:28]([CH3:29])[CH3:30])(=[O:32])=[O:33])[CH2:7][CH:8]1[c:9]1[cH:10][c:11](-[c:15]2[cH:16][c:17]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:18][cH:19][cH:20]2)[cH:12][cH:13][cH:14]1