HRID1203612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID817866

3-(2-Chloroethyl)-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one

C11H11ClN2O

HCID2724440

4-(4-Fluorobenzoyl)piperidine

C12H14FNO

PRODUCTS

生成物

结构：Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1

HCID4847

Pirenperone

C23H24FN3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-380c8a3a159b41b0adbd566de6194eec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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