HRID143142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID15413

Methyl tert-butyl ether

C5H12O

HCID2723799

未命名化合物

HCID15789913

4-(4-Oxocyclohexyl)benzonitrile

C13H13NO

PRODUCTS

生成物

HCID19739357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab9ba7f444854725b6ee7cb6513f3c1f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:24](#[N:25])[c:26]1[cH:27][cH:28][c:29]([CH:32]2[CH2:33][CH2:34][C:35](=[O:38])[CH2:36][CH2:37]2)[cH:30][cH:31]1.[CH3:2][O:3][CH2:4][P+:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH3:45][O:46][C:47]([CH3:48])([CH3:49])[CH3:50].[Cl-:1].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1>>[CH3:2][O:3][CH:4]=[C:35]1[CH2:34][CH2:33][CH:32]([c:29]2[cH:28][cH:27][c:26]([C:24]#[N:25])[cH:31][cH:30]2)[CH2:37][CH2:36]1