HRID305767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID7764

Ethyl cyanoacetate

C5H7NO2

HCID28179

Fluoride

F-

结构：CC12CCC3(O)C(CC=C4CC5(CCC43C)OCCO5)C1CCC2=O

HCID178421183

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C#N)=C1CCC2C3CC=C4CC5(CCC4(C)C3(O)CCC12C)OCCO5

HCID178471899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8dee97bbfb994508aa43f3d84d2de14c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:26](#[N:27])[CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33].[CH2:1]1[O:2][C:3]2([CH2:4][C:5]3=[CH:6][CH2:7][CH:8]4[CH:9]5[CH2:10][CH2:11][C:12](=[O:23])[C:13]5([CH3:14])[CH2:15][CH2:16][C:17]4([OH:22])[C:18]3([CH3:21])[CH2:19][CH2:20]2)[O:24][CH2:25]1.[CH3:36][CH2:37][OH:38].[F-:34].[K+:35]>>[CH2:1]1[O:2][C:3]2([CH2:4][C:5]3=[CH:6][CH2:7][CH:8]4[CH:9]5[CH2:10][CH2:11][C:12](=[C:28]([C:26]#[N:27])[C:29](=[O:30])[O:31][CH2:32][CH3:33])[C:13]5([CH3:14])[CH2:15][CH2:16][C:17]4([OH:22])[C:18]3([CH3:21])[CH2:19][CH2:20]2)[O:24][CH2:25]1