HRID1550712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID43106828

未命名化合物

HCID67338336

3-Pyridinecarboxylic acid, 5-(2-fluoro-4-methylphenyl)-, 1-oxide

C13H10FNO3

PRODUCTS

产物

HCID178423792

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-59a8f4d9202349018ba6052d2f56e01f
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

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