HRID181385

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-

HCID100861

3-(2-Chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one

C12H13ClN2O

HCID702235

未命名化合物

PRODUCTS

生成物

结构：Cc1ccn2c(=O)c(CCN3CCC(c4c[nH]c5ccccc45)CC3)c(C)nc2c1

HCID20530728

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8323fd0834a4426812837825c8a8384
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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