HRID838268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID674

Dimethylamine

C2H7N

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID204484

Propylphosphonic acid

C3H9O3P

结构：CCOC(=O)c1cnn(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

HCID25134467

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1cnn(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

HCID59428122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74aab3556d624679aa66593c802aeec8
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([O:3][C:4](=[O:2])[c:6]1[cH:7][n:8][n:9](-[c:11]2[n:12][cH:13][c:14]([Cl:31])[cH:15][c:16]2[NH:17][S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][c:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:25][cH:26]2)[cH:10]1)[CH3:5].[CH2:37]([P:38]([OH:39])([OH:40])=[O:41])[CH2:42][CH3:43].[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:34][NH:35][CH3:36].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][C:52](=[O:53])[OH:54].[Na+:33].[OH-:32]>>[O:3]=[C:4]([c:6]1[cH:7][n:8][n:9](-[c:11]2[n:12][cH:13][c:14]([Cl:31])[cH:15][c:16]2[NH:17][S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][c:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:25][cH:26]2)[cH:10]1)[N:35]([CH3:34])[CH3:36]