HRID153242

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

结构：CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1

HCID2471

Bumetanide

C17H20N2O5S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID16844

Acetamide, 2-chloro-N,N-diethyl-

C6H12ClNO

HCID30165

Iodide ion

I-

PRODUCTS

生成物

结构：CCCCNc1cc(C(=O)OCC(=O)N(CC)CC)cc(S(N)(=O)=O)c1Oc1ccccc1

HCID16657241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91e0e1faa9f24fd087367c80db5918e8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][CH2:2][CH2:3][CH2:4][NH:5][c:6]1[cH:7][c:8]([C:23]([OH:24])=[O:25])[cH:9][c:10]([S:19]([NH2:20])(=[O:21])=[O:22])[c:11]1[O:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[Cl:26][CH2:27][C:28](=[O:29])[N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[Cl:49][CH2:50][Cl:51].[I-:43].[Na+:42]>>[CH3:1][CH2:2][CH2:3][CH2:4][NH:5][c:6]1[cH:7][c:8]([C:23]([O:24][CH2:27][C:28](=[O:29])[N:30]([CH2:31][CH3:32])[CH2:33][CH3:34])=[O:25])[cH:9][c:10]([S:19]([NH2:20])(=[O:21])=[O:22])[c:11]1[O:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1