HRID2148843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID241

Benzene

C6H6

HCID923

Sodium ion

Na+

3 次

HCID7408

(1-Aminoethyl)benzene

C8H11N

HCID19660

Carbonate

CO3-2

HCID2724942

未命名化合物

HCID11276893

1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate

C12H19NO5

PRODUCTS

生成物

结构：COC(=O)C1CN(C(=O)OC(C)(C)C)CCC1NC(C)c1ccccc1

HCID68819527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d797ed7610da47dd99a350765cfcf575
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: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].[CH3:19][CH:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[NH2:27].[CH3:28][C:29](=[O:30])[OH:31].[Na+:45].[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[O:1]=[C:2]1[CH:3]([C:15](=[O:16])[O:17][CH3:18])[CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1.[cH:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH:2]1([NH:27][CH:20]([CH3:19])[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH:3]([C:15](=[O:16])[O:17][CH3:18])[CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1