HRID1208057

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID117158

2,3-dihydro-1H-quinolin-4-one

C9H9NO

HCID166653

Hydride

H-

4 次

HCID545828

4-(3,4-Dimethoxyphenyl)piperidine

C13H19NO2

结构：COc1ccc(C2CCN(C(=O)CC3CCNc4ccccc43)CC2)cc1OC

HCID18986543

未命名化合物

HCID86749290

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2CCN(CCC3CCNc4ccccc43)CC2)cc1OC

HCID9842863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48dc1cb6346b4cd19e6759805edddea5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Al+3:72].[CH3:41][P:42]([O:43][C:44]([O:45][C:46]([CH2:47][CH3:48])([CH2:49][CH3:50])[CH3:51])=[O:52])(=[O:53])[O-:54].[CH3:55][O:56][c:57]1[cH:58][c:59]([CH:60]2[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]2)[cH:66][cH:67][c:68]1[O:69][CH3:70].[H-:71].[H-:74].[H-:75].[H-:76].[Li+:73].[NH:1]1[CH2:2][CH2:3][CH:4]([CH2:11][C:12](=[O:13])[N:14]2[CH2:15][CH2:16][CH:17]([c:20]3[cH:21][c:22]([O:28][CH3:29])[c:23]([O:26][CH3:27])[cH:24][cH:25]3)[CH2:18][CH2:19]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[NH:30]1[c:31]2[c:32]([cH:33][cH:34][cH:35][cH:36]2)[C:37](=[O:38])[CH2:39][CH2:40]1>>[NH:1]1[CH2:2][CH2:3][CH:4]([CH2:11][CH2:12][N:14]2[CH2:15][CH2:16][CH:17]([c:20]3[cH:21][c:22]([O:28][CH3:29])[c:23]([O:26][CH3:27])[cH:24][cH:25]3)[CH2:18][CH2:19]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21