HRID2321056

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID313

Hydrochloric Acid

ClH

HCID888

Magnesium cation

Mg+2

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID308483

3-Cyanobenzoyl chloride

C8H4ClNO

HCID57481296

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCCC(C(C)=O)(C(=O)OC(C)(C)C)C(=O)c1cccc(C#N)c1

HCID57481298

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4841e49a42fc42d0a40a8ddd5b69512c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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