HRID945462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID888

Magnesium cation

Mg+2

HCID1117

Sulfate

O4S-2

结构：CC(=O)C(C(C)=O)C(c1ccc(C#N)cc1)C(C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)OCc1ccccc1

HCID59666215

未命名化合物

PRODUCTS

生成物

结构：CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)C(C(=O)OCc2ccccc2)C1c1ccc(C#N)cc1

HCID59666193

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd5298bc3bc5414ea5d9ff4c15182eae
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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