HRID956184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

结构：Cc1nn(C)c(C(=O)C(C#N)c2ccc(C(C)(C)C)cc2)c1C

HCID11983952

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C)c(C(OC(=O)C(C)(C)C)=C(C#N)c2ccc(C(C)(C)C)cc2)c1C

HCID66781246

(E)-2-(4-tert-Butylphenyl)-2-cyano-1-(1,3,4-trimethyl-1H-pyrazol-5-yl)ethenyl 2,2-dimethylpropanoate

C24H31N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b58799b53dac44bb9cfd0f59063a83d1
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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