HRID321474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

3 次

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID15623024

Ethyl 4-(6-acetyl-3-hydroxy-2-propylphenoxy)butanoate

C17H24O5

HCID15712383

1-{4-[(3-Bromopropyl)sulfanyl]-2-hydroxy-3-propylphenyl}ethan-1-one

C14H19BrO2S

PRODUCTS

生成物

结构：CCCc1c(SCCCOc2ccc(C(C)=O)c(OCCCC(=O)OCC)c2CCC)ccc(C(C)=O)c1O

HCID15712389

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e330d38e664409c869c17fd5c65a262
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

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