HRID213080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID88349

p-(2-(Dimethylamino)ethoxy)benzylamine

C11H18N2O

HCID89601

2-Methoxy-5-sulfamoylbenzoic acid

C8H9NO5S

PRODUCTS

生成物

结构：COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(OCCN(C)C)cc1

HCID3078818

Benzamide, 5-(aminosulfonyl)-N-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-2-methoxy-

C19H25N3O5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8876ccf8b184547a4f7e313960ed867
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

[C:23]([Cl:24])(=[O:25])[C:26]([CH3:27])([CH3:28])[CH3:29].[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([S:12]([NH2:13])(=[O:14])=[O:15])[cH:10][cH:11]1.[CH3:30][N:31]([CH2:32][CH2:33][O:34][c:35]1[cH:36][cH:37][c:38]([CH2:39][NH2:40])[cH:41][cH:42]1)[CH3:43].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:7])[NH:40][CH2:39][c:38]2[cH:37][cH:36][c:35]([O:34][CH2:33][CH2:32][N:31]([CH3:30])[CH3:43])[cH:42][cH:41]2)[cH:8][c:9]([S:12]([NH2:13])(=[O:14])=[O:15])[cH:10][cH:11]1