HRID2143956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID28486

Lithium ion

Li+

HCID14403175

9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine

C9H18N2

结构：CC1CN(c2nc3c(C(=O)[O-])cccc3o2)CCN1C(=O)OC(C)(C)C

HCID178430091

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2nc3c(C(=O)NC4CC5CCCC(C4)N5C)cccc3o2)CCN1C(=O)OC(C)(C)C

HCID66873602

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98a7405351734aec9222ca240cba5968
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH3:26])[CH2:10][N:11]([c:14]2[o:15][c:16]3[c:17]([n:18]2)[c:19]([C:23](=[O:24])[O-:25])[cH:20][cH:21][cH:22]3)[CH2:12][CH2:13]1.[CH3:30][N:31]1[CH:32]2[CH2:33][CH:34]([NH2:40])[CH2:35][CH:36]1[CH2:37][CH2:38][CH2:39]2.[ClH:28].[ClH:29].[Li+:27]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH3:26])[CH2:10][N:11]([c:14]2[o:15][c:16]3[c:17]([n:18]2)[c:19]([C:23](=[O:25])[NH:40][CH:34]2[CH2:33][CH:32]4[N:31]([CH3:30])[CH:36]([CH2:35]2)[CH2:37][CH2:38][CH2:39]4)[cH:20][cH:21][cH:22]3)[CH2:12][CH2:13]1