HRID162289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID15294

Methyl 4-formylbenzoate

C9H8O3

HCID2724942

未命名化合物

HCID2756482

tert-Butyl 2-(aminomethyl)piperidine-1-carboxylate

C11H22N2O2

PRODUCTS

生成物

结构：COC(=O)c1ccc(CNCC2CCCCN2C(=O)OC(C)(C)C)cc1

HCID68489157

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8e3c898cf364fcdb2397a6b1a4850f3
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:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH:9]([CH2:14][NH2:15])[CH2:10][CH2:11][CH2:12][CH2:13]1.[C:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[CH3:28][C:29](=[O:30])[OH:31].[CH:16](=[O:17])[c:18]1[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27]1.[Cl:46][CH:47]([Cl:48])[CH3:49].[Na+:45].[OH2:50]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH:9]([CH2:14][NH:15][CH2:16][c:18]2[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27]2)[CH2:10][CH2:11][CH2:12][CH2:13]1