HRID95597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID96387

4-Phenylpiperidin-4-ol

C11H15NO

结构：Cc1ccc(S(=O)(=O)OCCC2COc3ccccc3O2)cc1

HCID12850582

未命名化合物

PRODUCTS

生成物

结构：OC1(c2ccccc2)CCN(CCC2COc3ccccc3O2)CC1

HCID21331984

1-[2-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethyl]-4-phenylpiperidin-4-ol

C21H25NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae8d9cf5f1b042a78e90665b3bdeffe3
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

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