HRID294192

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：COc1cc(OC)cc(C(=O)c2ccc(OC)c(OC)c2)c1

HCID21584591

(3,4-Dimethoxyphenyl)(3,5-dimethoxyphenyl)methanone

C17H18O5

PRODUCTS

生成物

结构：COc1cc(OC)cc(C(=CC#N)c2ccc(OC)c(OC)c2)c1

HCID54238057

3-(3,4-Dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enenitrile

C19H19NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-440329003182444d883cfbc80cdc1f04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[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].[CH3:27][O:28][c:29]1[cH:30][c:31]([C:32](=[O:33])[c:34]2[cH:35][c:36]([O:42][CH3:43])[cH:37][c:38]([O:40][CH3:41])[cH:39]2)[cH:44][cH:45][c:46]1[O:47][CH3:48].[CH3:60][Si:61]([CH3:62])([CH3:63])[N-:64][Si:65]([CH3:66])([CH3:67])[CH3:68].[Li+:69]>>[CH3:27][O:28][c:29]1[cH:30][c:31]([C:32]([c:34]2[cH:35][c:36]([O:42][CH3:43])[cH:37][c:38]([O:40][CH3:41])[cH:39]2)=[CH:57][C:58]#[N:59])[cH:44][cH:45][c:46]1[O:47][CH3:48]