HRID689485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

10 次

HCID1117

Sulfate

O4S-2

HCID8028

Tetrahydrofuran

C4H8O

HCID28179

Fluoride

F-

结构：CCOC(=O)c1cc(C(C)NS(=O)C(C)(C)C)ccc1NS(C)(=O)=O

HCID178468926

未命名化合物

PRODUCTS

生成物

结构：CC(NS(=O)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(CO)c1

HCID178465723

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce66a3146f1846f6a9ab3f9b0a583bff
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:1]([CH3:2])([CH3:3])([CH3:4])[S:5](=[O:6])[NH:7][CH:8]([CH3:9])[c:10]1[cH:11][cH:12][c:13]([NH:21][S:22](=[O:23])(=[O:24])[CH3:25])[c:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:20]1.[F-:26].[K+:27].[Na+:43].[Na+:44].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH2:28].[OH2:29].[OH2:30].[OH2:31].[OH2:32].[OH2:33].[OH2:34].[OH2:35].[OH2:36].[OH2:37].[S:38]([O-:39])([O-:40])(=[O:41])=[O:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[S:5](=[O:6])[NH:7][CH:8]([CH3:9])[c:10]1[cH:11][cH:12][c:13]([NH:21][S:22](=[O:23])(=[O:24])[CH3:25])[c:14]([CH2:15][OH:16])[cH:20]1