HRID105196

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

HCID1049

Pyridine

C5H5N

HCID19660

Carbonate

CO3-2

HCID158654

Phenol, 5-amino-2-chloro-4-fluoro-

C6H5ClFNO

HCID10129898

未命名化合物

HCID10586676

4-chloro-6,7-dimethoxy-quinoline-3-carbonitrile

C12H9ClN2O2

PRODUCTS

产物

HCID22466574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5bc2042299cb47f2af82ffbe46434454
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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