HRID670152

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID18922

Pyrimidine, 4-methyl-

C5H6N2

HCID205808

Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester

C13H15NO3

HCID15038903

未命名化合物

结构：CC(C)=CC(c1cc(C#N)ccc1O)c1ccnc[n+]1[O-]

HCID19895662

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

HCID136404525

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f0011aab8354684a6561bed7d6254f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([c:2]1[cH:3][cH:4][c:5]([OH:6])[c:7]([CH:9]([c:10]2[n+:11]([O-:12])[cH:13][n:14][cH:15][cH:16]2)[CH:17]=[C:18]([CH3:19])[CH3:20])[cH:8]1)#[N:21].[C:62](#[N:63])[c:64]1[cH:65][cH:66][c:67]([O:68][C:69]([C:70](=[O:71])[O:72][CH2:73][CH3:74])([CH3:75])[CH3:76])[cH:77][cH:78]1.[CH3:22][C:23]1([CH3:24])[CH2:25][CH:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][n:32]2)[c:33]2[cH:34][c:35]([C:36]([OH:37])=[O:38])[cH:39][cH:40][c:41]2[O:42]1.[CH3:55][c:56]1[n:57][cH:58][n:59][cH:60][cH:61]1.[CH3:79][CH2:80][CH2:81][CH2:82][CH2:83][CH3:84].[CH:48]([NH:49][CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[Li:43][CH2:44][CH2:45][CH2:46][CH3:47].[O:85]1[CH2:86][CH2:87][CH2:88][CH2:89]1>>[CH:55]([c:56]1[n:57][cH:58][n:59][cH:60][cH:61]1)=[C:70]([C:69]([O:68][c:67]1[cH:66][cH:65][c:64]([C:62]#[N:63])[cH:78][cH:77]1)([CH3:75])[CH3:76])[OH:71]