HRID318567

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID240

Benzaldehyde

C7H6O

HCID312

Chloride

Cl-

2 次

HCID888

Magnesium cation

Mg+2

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID76637870

未命名化合物

PRODUCTS

生成物

结构：C#CCCC(C(=O)N1C(=O)OCC1c1ccccc1)C(O)c1ccccc1

HCID76637860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aab34902ed154ee0bf8b4e07ec99a05b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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