HRID193848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

结构：COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC

HCID13954267

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=CC#N)c2ccc([N+](=O)[O-])cc2)cc1OC

HCID54567870

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7af4c09903a04533a19a14b758a1337d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:48]([O:49][P:50](=[O:51])([O:52][CH2:53][CH3:54])[CH2:56][C:57]#[N:58])[CH3:55].[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].[CH3:27][O:28][c:29]1[cH:30][c:31]([C:32](=[O:33])[c:34]2[cH:35][cH:36][c:37]([N+:40](=[O:41])[O-:42])[cH:38][cH:39]2)[cH:43][cH:44][c:45]1[O:46][CH3:47].[CH3:59][Si:60]([CH3:61])([CH3:62])[N-:63][Si:64]([CH3:65])([CH3:66])[CH3:67].[Li+:68]>>[CH3:27][O:28][c:29]1[cH:30][c:31]([C:32]([c:34]2[cH:35][cH:36][c:37]([N+:40](=[O:41])[O-:42])[cH:38][cH:39]2)=[CH:56][C:57]#[N:58])[cH:43][cH:44][c:45]1[O:46][CH3:47]