HRID158258

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

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

HCID3152

Donepezil

C24H29NO3

HCID6395

Methanesulfonic acid

CH4O3S

HCID8114

Propyl ether

C6H14O

PRODUCTS

生成物

HCID3152

Donepezil

C24H29NO3

HCID6395

Methanesulfonic acid

CH4O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e44b5aeba10423b8b3356e3c4aa4cbe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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