HRID289012

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID7400

4-Chlorobenzenesulphonic acid

C6H5ClO3S

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID15057040

未命名化合物

PRODUCTS

生成物

结构：O=C(O)CCCCC(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1

HCID3077003

6-(4-{2-[(4-Chlorobenzene-1-sulfonyl)amino]ethyl}phenyl)-6-(pyridin-3-yl)hexanoic acid

C25H27ClN2O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd8dd51cd54f475f8a80bff4026aa406
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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