HRID180656

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID2724942

未命名化合物

HCID4247255

N-Boc-2-aminoacetaldehyde

C7H13NO3

HCID11402671

1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate

C12H22N2O4

PRODUCTS

生成物

结构：CCOC(=O)C1CN(C(=O)OC(C)(C)C)CCN1CCNC(=O)OC(C)(C)C

HCID59215848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f20aea73bd249f081ce4a7b7327d116
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:19](=[O:20])([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[NH:26][CH2:27][CH:28]=[O:29].[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[Cl:44][CH:45]([Cl:46])[CH3:47].[N:1]1([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:2][CH:3]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[NH:4][CH2:5][CH2:6]1.[Na+:43]>>[N:1]1([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:2][CH:3]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[N:4]([CH2:28][CH2:27][NH:26][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:5][CH2:6]1