HRID1206547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID75676

Diethyl (cyanomethyl)phosphonate

C6H12NO3P

HCID3280088

未命名化合物

HCID43474091

未命名化合物

PRODUCTS

生成物

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

HCID69203600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3416946935704a59b98fb3f39152e00b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([O:2][P:3](=[O:4])([O:5][CH2:6][CH3:7])[CH2:9][C:10]#[N:11])[CH3:8].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:12][Si:13]([N-:14][Si:15]([CH3:16])([CH3:17])[CH3:18])([CH3:19])[CH3:20].[CH3:22][O:23][c:24]1[cH:25][c:26]([C:32](=[O:33])[c:34]2[cH:35][c:36]([F:42])[c:37]([O:40][CH3:41])[cH:38][cH:39]2)[cH:27][c:28]([O:30][CH3:31])[cH:29]1.[Li+:21].[OH2:43]>>[CH:9]([C:10]#[N:11])=[C:32]([c:26]1[cH:25][c:24]([O:23][CH3:22])[cH:29][c:28]([O:30][CH3:31])[cH:27]1)[c:34]1[cH:35][c:36]([F:42])[c:37]([O:40][CH3:41])[cH:38][cH:39]1