HRID111841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID7503

Benzyl chloride

C7H7Cl

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID10446897

5,6-Dimethoxy-2-[(piperidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-one

C17H23NO3

PRODUCTS

生成物

结构：COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2

HCID3152

Donepezil

C24H29NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-018993e298b34bbab65036b5e25c3893
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:30](=[O:31])([O-:32])[O-:33].[CH2:41]([N+:42]([CH2:43][CH2:44][CH2:45][CH3:46])([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH3:57].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:9]([cH:10][c:11]1[O:12][CH3:13])[C:8](=[O:14])[CH:7]([CH2:15][CH:16]1[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]1)[CH2:6]2.[CH3:36][C:37](=[O:38])[CH3:39].[Cl:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[I-:40].[K+:34].[K+:35].[OH2:58]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:9]([cH:10][c:11]1[O:12][CH3:13])[C:8](=[O:14])[CH:7]([CH2:15][CH:16]1[CH2:17][CH2:18][N:19]([CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:20][CH2:21]1)[CH2:6]2