HRID1145814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID817872

6-(2-chloroethyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one

C9H9ClN2OS

HCID14090755

1-(Piperidin-4-yl)-1H-indole

C13H16N2

PRODUCTS

生成物

结构：Cc1nc2sccn2c(=O)c1CCN1CCC(n2ccc3ccccc32)CC1

HCID70004001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cfa8cece9754823822dd7653639bcd3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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