HRID1207722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

3 次

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID2763079

3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4hpyrido(1,2-a)pyrimidin-4-one

C11H15ClN2O

HCID3826051

未命名化合物

HCID15020358

4-[(4-Fluorophenyl)(phenyl)methylidene]piperidine

C18H18FN

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

2 次

结构：Cc1nc2n(c(=O)c1CCN1CCC(=C(c3ccccc3)c3ccc(F)cc3)CC1)CCCC2

HCID13363388

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02e49f7f37614550a850748c09942ac2
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][O-:39].[CH3:49][CH:50]([CH3:51])[CH2:52][C:53](=[O:54])[CH3:55].[Cl:2][CH2:3][CH2:4][c:5]1[c:6]([CH3:16])[n:7][c:8]2[n:9]([c:10]1=[O:11])[CH2:12][CH2:13][CH2:14][CH2:15]2.[ClH:17].[ClH:1].[F:18][c:19]1[cH:20][cH:21][c:22]([C:25](=[C:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:23][cH:24]1.[I-:48].[K+:47].[Na+:40].[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46]>>[CH2:3]([CH2:4][c:5]1[c:6]([CH3:16])[n:7][c:8]2[n:9]([c:10]1=[O:11])[CH2:12][CH2:13][CH2:14][CH2:15]2)[N:29]1[CH2:28][CH2:27][C:26](=[C:25]([c:22]2[cH:21][cH:20][c:19]([F:18])[cH:24][cH:23]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:31][CH2:30]1.[ClH:1].[ClH:2]