HRID1129945

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID205808

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

C13H15NO3

HCID12397252

5-(Benzyloxy)-2-methyl-1-oxo-1lambda~5~-pyridine

C13H13NO2

HCID15038903

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)(Oc1ccc(C#N)cc1)C(=O)Cc1ccc(OCc2ccccc2)c[n+]1[O-]

HCID54393238

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2059d2da86944168a2caabdfec358bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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