HRID2315028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID264997

未命名化合物

HCID735900

1-Boc-4-piperidone

C10H17NO3

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCOC(=O)C=CC=C1CCN(C(=O)OC(C)(C)C)CC1

HCID53822797

1,1-Dimethylethyl 4-(4-ethoxy-4-oxo-2-buten-1-ylidene)-1-piperidinecarboxylate

C16H25NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6659709a25dc430e8ef2984dd14339fb
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

[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38](=[O:39])[N:40]1[CH2:41][CH2:42][C:43](=[O:46])[CH2:44][CH2:45]1.[CH2:12]1[O:13][CH2:14][CH2:15][CH2:16]1.[CH2:17]([O:18][P:19]([O:20][CH2:21][CH3:22])(=[O:23])[CH2:25][CH:26]=[CH:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[CH3:24].[CH2:7]([Li:8])[CH2:9][CH2:10][CH3:11].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[OH2:47]>>[CH:25]([CH:26]=[CH:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])=[C:43]1[CH2:42][CH2:41][N:40]([C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:39])[CH2:45][CH2:44]1