HRID2323666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID28486

Lithium ion

Li+

HCID75676

Diethyl (cyanomethyl)phosphonate

C6H12NO3P

HCID3280088

未命名化合物

结构：COC(=O)C=C(c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1

HCID9820154

未命名化合物

HCID21584604

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(C(=CC#N)c2ccc(OC)c(OC)c2)cc1CC

HCID54040106

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2f6cec2d80a4a8e9307b74394bdfdbd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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