HRID1147743

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7666

Phenethyl bromide

C8H9Br

HCID30165

Iodide ion

I-

结构：CC(=O)N(C)c1ccc(S(=O)(=O)NC2CCNCC2)cc1

HCID15049723

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(C)c1ccc(S(=O)(=O)NC2CCN(CCc3ccccc3)CC2)cc1

HCID15049724

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15f96d6038fe47a78c490297292cc9c0
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

[Br:28][CH2:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[C:1]([OH:2])(=[O:3])[CH3:4].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[I-:27].[K+:26].[NH:5]1[CH2:6][CH2:7][CH:8]([NH:11][S:12](=[O:13])(=[O:14])[c:15]2[cH:16][cH:17][c:18]([N:21]([CH3:22])[C:23]([CH3:24])=[O:25])[cH:19][cH:20]2)[CH2:9][CH2:10]1.[Na+:38].[OH2:37].[OH:39][C:40](=[O:41])[O-:42]>>[N:5]1([CH2:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:6][CH2:7][CH:8]([NH:11][S:12](=[O:13])(=[O:14])[c:15]2[cH:16][cH:17][c:18]([N:21]([CH3:22])[C:23]([CH3:24])=[O:25])[cH:19][cH:20]2)[CH2:9][CH2:10]1