HRID2311097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID13838

Hexamethyldisilazane

C6H19NSi2

HCID178418339

Butyllithium

C4H9Li

HCID178418361

未命名化合物

结构：COC(=O)CC(CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

HCID178500360

未命名化合物

PRODUCTS

生成物

HCID53427213

tert-Butyl (3-oxocyclopentyl)carbamate

C10H17NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7dfd37a0f45448cbe4b8471fc31a122
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH3:58][CH2:59][OH:60].[CH3:6][Si:7]([CH3:8])([CH3:9])[NH:10][Si:11]([CH3:12])([CH3:13])[CH3:14].[Cl:55][CH2:56][Cl:57].[ClH:41].[H:42][H:43].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[c:15]1([CH2:16][O:17][C:18](=[O:19])[CH2:24][CH2:25][CH:26]([CH2:27][C:28](=[O:21])[O:30][CH3:20])[NH:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[cH:22][cH:23][cH:29][cH:31][cH:40]1>>[CH2:24]1[CH2:25][CH:26]([NH:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:27][C:28]1=[O:30]