HRID1136027

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID240

Benzaldehyde

C7H6O

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID3420026

Thiazolium, 5-(2-hydroxyethyl)-3,4-dimethyl-

C7H12NOS+

HCID53755005

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)C(C(=O)OC)C(C(=O)c1ccccc1)c1ccc(F)cc1

HCID23047461

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5644d7e94d194cbba65b2f24c1ec2bea
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

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