HRID1128749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID238498

Ethyl 3-oxohexanoate

C8H14O3

HCID9991395

2-[5-(Chloromethyl)-2-pyridinyl]benzonitrile

C13H9ClN2

PRODUCTS

生成物

结构：CCCC(=O)C(Cc1ccc(-c2ccccc2C#N)nc1)C(=O)OCC

HCID67010152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46dabf5dd56a4f50b69a6abfe9c38688
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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