HRID146886

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID7972

4-Methylmorpholine

C5H11NO

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID204484

Propylphosphonic acid

C3H9O3P

HCID53241149

未命名化合物

HCID59278137

1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid

C13H8FN3O2

PRODUCTS

生成物

结构：CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1

HCID59278314

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f058c39be254e1eaf0836fb1787a5ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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