HRID1235894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID24841

Hydrogen iodide

HCID109063

4-(4-Pentylcyclohexyl)benzonitrile

C18H25N

HCID5462224

Magnesium

HCID19938864

未命名化合物

PRODUCTS

生成物

结构：CCCCCC1CCC(CCCC(=O)c2ccc(C3CCC(CCCCC)CC3)cc2)CC1

HCID18965951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c63e88b0b95e443eaff0576373b21025
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

[CH2:18]([CH2:19][CH2:20][CH2:21][CH3:22])[CH:23]1[CH2:24][CH2:25][CH:26]([c:29]2[cH:30][cH:31][c:32]([C:33]#[N:34])[cH:35][cH:36]2)[CH2:27][CH2:28]1.[CH2:3]([CH2:4][CH2:5][CH2:6][CH3:7])[CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][CH2:16][Br:17])[CH2:12][CH2:13]1.[CH3:38][CH2:39][O:40][CH2:41][CH3:42].[ClH:37].[I:2].[Mg:1]>>[CH2:3]([CH2:4][CH2:5][CH2:6][CH3:7])[CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][CH2:16][C:33]([c:32]2[cH:31][cH:30][c:29]([CH:26]3[CH2:25][CH2:24][CH:23]([CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[CH2:28][CH2:27]3)[cH:36][cH:35]2)=[O:40])[CH2:12][CH2:13]1