HRID2329556

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID16785597

3-(Aminomethyl)-N-methylbenzene-1-sulfonamide

C8H12N2O2S

HCID45073363

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

C11H7FN2O2

PRODUCTS

生成物

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

HCID16666025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-caedcffce27b4bd5bbadffa4edb7e395
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Cl:17][C:18]([C:19]([Cl:20])=[O:21])=[O:22].[Cl:56][CH2:57][Cl:58].[ClH:23].[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:14](=[O:15])[OH:16])[cH:12][n:13]2)[cH:5][cH:6][cH:7]1.[NH2:24][CH2:25][c:26]1[cH:27][c:28]([S:32](=[O:33])(=[O:34])[NH:35][CH3:36])[cH:29][cH:30][cH:31]1.[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:43]>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:14](=[O:16])[NH:24][CH2:25][c:26]3[cH:27][c:28]([S:32](=[O:33])(=[O:34])[NH:35][CH3:36])[cH:29][cH:30][cH:31]3)[cH:12][n:13]2)[cH:5][cH:6][cH:7]1