HRID1543528

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID45073363

2-(3-Fluorophenyl)pyrimidine-5-carboxylic acid

C11H7FN2O2

HCID69122572

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NS(=O)(=O)c1cccc(CNC(=O)c2cnc(-c3cccc(F)c3)nc2)c1

HCID16666100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70107f4f9e8f42e3bf82f460b3a5a819
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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