HRID1200763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID31374

Dimethylacetamide

C4H9NO

HCID139882

4-t-Butylbenzenesulfonyl chloride

C10H13ClO2S

HCID166653

Hydride

H-

HCID22282002

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCCOc1nn(C)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1-c1ccc(C)cc1

HCID22281958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1082459545c54557b06e36da54ce5ee5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH2:6][O:7][c:8]1[n:9][n:10]([CH3:21])[c:11]([NH2:20])[c:12]1-[c:13]1[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]1.[C:24]([CH3:25])([CH3:26])([CH3:27])[c:28]1[cH:29][cH:30][c:31]([S:34](=[O:35])(=[O:36])[Cl:37])[cH:32][cH:33]1.[C:38]([N:39]([CH3:40])[CH3:41])(=[O:42])[CH3:43].[H-:22].[Na+:23].[OH2:44]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH2:6][O:7][c:8]1[n:9][n:10]([CH3:21])[c:11]([NH:20][S:34]([c:31]2[cH:30][cH:29][c:28]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:33][cH:32]2)(=[O:35])=[O:36])[c:12]1-[c:13]1[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]1