HRID283878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7747

Methyl cyanoacetate

C4H5NO2

HCID7914

Isopropyl ether

C6H14O

HCID8028

Tetrahydrofuran

C4H8O

HCID8082

Piperidine

C5H11N

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(Cl)c(C=O)c2)c1=O

HCID21201225

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C#N)=Cc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl

HCID70231550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5c14d0253fc480aa1a87b2eccaf4f7e
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

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