HRID2155520

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

HCID8058

n-Hexane

C6H14

HCID19660

Carbonate

CO3-2

HCID87513

4-(2-Chloroethyl)phenyl methyl ether

C9H11ClO

HCID18700423

未命名化合物

PRODUCTS

生成物

结构：CCOCc1nc(C2CCN(CCc3ccc(OC)cc3)CC2)oc1-c1ccccc1

HCID18700412

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-430b5f8de0cd4ee886daec4031a8d799
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

[CH2:13]([CH3:14])[O:15][CH2:16][c:17]1[n:18][c:19]([CH:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[o:20][c:21]1-[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[CH3:46][CH2:47][OH:48].[Cl:1][CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([O:10][CH3:11])[cH:8][cH:9]1.[ClH:12].[K+:34].[K+:35].[O-:36][C:37]([O-:38])=[O:39]>>[CH2:2]([CH2:3][c:4]1[cH:5][cH:6][c:7]([O:10][CH3:11])[cH:8][cH:9]1)[N:31]1[CH2:30][CH2:29][CH:28]([c:19]2[n:18][c:17]([CH2:16][O:15][CH2:13][CH3:14])[c:21](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[o:20]2)[CH2:33][CH2:32]1