HRID689047

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CCCC(CCC)N1CCc2c(C(=O)OC)cc(N)cc2C1=O

HCID68472645

未命名化合物

PRODUCTS

生成物

结构：CCCC(CCC)N1CCc2c(C(=O)OC)cc(NS(C)(=O)=O)cc2C1=O

HCID68470577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fed53cd926254bc4b5fd55af1fadef5c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:35](=[O:36])([O-:37])[OH:38].[CH3:30][S:31]([Cl:32])(=[O:33])=[O:34].[Cl:40][CH2:41][Cl:42].[NH2:1][c:2]1[cH:3][c:4]([C:20](=[O:21])[O:22][CH3:23])[c:5]2[c:10]([cH:11]1)[C:9](=[O:12])[N:8]([CH:13]([CH2:14][CH2:15][CH3:16])[CH2:17][CH2:18][CH3:19])[CH2:7][CH2:6]2.[Na+:39].[OH2:43].[cH:24]1[cH:25][cH:26][n:27][cH:28][cH:29]1>>[NH:1]([c:2]1[cH:3][c:4]([C:20](=[O:21])[O:22][CH3:23])[c:5]2[c:10]([cH:11]1)[C:9](=[O:12])[N:8]([CH:13]([CH2:14][CH2:15][CH3:16])[CH2:17][CH2:18][CH3:19])[CH2:7][CH2:6]2)[S:31]([CH3:30])(=[O:33])=[O:34]