HRID2145856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID5196

Semicarbazide

CH5N3O

HCID19660

Carbonate

CO3-2

结构：O=C1CCCCC1n1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O

HCID11069041

3-[2-(2-oxocyclohexyl)-3-oxo-2,3-dihydropyridazin-6-yl]-2-phenylpyrazolo[1,5-a]pyridine

C23H20N4O2

PRODUCTS

生成物

结构：NC(=O)NN=C1CCCCC1n1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O

HCID57321491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44347c599d974038af3b752198c04faa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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