HRID158596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID2735700

N-Boc-1,3-propanediamine

C8H18N2O2

结构：CC(C)CCN(CCC(C)C)C(=O)c1ccc([N+](=O)[O-])c(F)c1

HCID68447111

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCN(CCC(C)C)C(=O)c1ccc([N+](=O)[O-])c(NCCCNC(=O)OC(C)(C)C)c1

HCID68789966

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb4aac8d14fa4bae9e8cbebe9287258f
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

[C:24](=[O:25])([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[NH:31][CH2:32][CH2:33][CH2:34][NH2:35].[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][C:43]#[N:44].[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[N:7]([CH2:8][CH2:9][CH:10]([CH3:11])[CH3:12])[CH2:13][CH2:14][CH:15]([CH3:16])[CH3:17])[cH:18][cH:19][c:20]1[N+:21](=[O:22])[O-:23].[K+:40].[K+:41]>>[c:2]1([NH:35][CH2:34][CH2:33][CH2:32][NH:31][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:3][c:4]([C:5](=[O:6])[N:7]([CH2:8][CH2:9][CH:10]([CH3:11])[CH3:12])[CH2:13][CH2:14][CH:15]([CH3:16])[CH3:17])[cH:18][cH:19][c:20]1[N+:21](=[O:22])[O-:23]