HRID203657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

3 次

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID28179

Fluoride

F-

HCID391852

未命名化合物

HCID799301

4-fluoro-N,N-dimethylbenzenesulfonamide

C8H10FNO2S

PRODUCTS

产物

HCID13478356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b0ace72fbd3145fcb49ae951800678be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[C:1]([OH:2])(=[O:3])[CH3:4].[C:43](=[O:44])([O-:45])[O-:46].[C:5]([OH:6])(=[O:7])[CH3:8].[C:9]([OH:10])(=[O:11])[CH3:12].[CH3:13][c:14]1[c:15]([N:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[c:16]([NH2:21])[n:17][c:18]([NH2:20])[n:19]1.[CH3:49][S:50]([CH3:51])=[O:52].[F-:41].[F:28][c:29]1[cH:30][cH:31][c:32]([S:35](=[O:36])(=[O:37])[N:38]([CH3:39])[CH3:40])[cH:33][cH:34]1.[K+:42].[K+:47].[K+:48].[OH2:53]>>[CH3:13][c:14]1[c:15]([N:22]2[CH2:23][CH2:24][N:25]([c:29]3[cH:30][cH:31][c:32]([S:35](=[O:36])(=[O:37])[N:38]([CH3:39])[CH3:40])[cH:33][cH:34]3)[CH2:26][CH2:27]2)[c:16]([NH2:21])[n:17][c:18]([NH2:20])[n:19]1