HRID115056

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

结构：COc1ccc(C=CC=CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1OC

HCID53821346

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C=CC=CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1OC

HCID54084270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00de0c93568649ff89173177fd3ee815
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

[Al+3:39].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[N:14]1[CH2:15][CH2:16][N:17]([C:20]([CH:21]=[CH:22][CH:23]=[CH:24][c:25]2[c:26]([O:35][CH3:36])[c:27]([O:33][CH3:34])[c:28]([O:31][CH3:32])[cH:29][cH:30]2)=[O:37])[CH2:18][CH2:19]1.[Cl-:44].[H-:38].[H-:41].[H-:42].[H-:43].[Li+:40].[NH4+:45]>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[N:14]1[CH2:15][CH2:16][N:17]([CH2:20][CH:21]=[CH:22][CH:23]=[CH:24][c:25]2[c:26]([O:35][CH3:36])[c:27]([O:33][CH3:34])[c:28]([O:31][CH3:32])[cH:29][cH:30]2)[CH2:18][CH2:19]1