HRID1231664

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-

HCID15712383

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

C14H19BrO2S

HCID15712395

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(SCCCSc2ccc(C(C)=O)c(OCCCC(=O)OCC)c2CCC)ccc(C(C)=O)c1O

HCID15712403

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4196ecc716554b56b87618177de74609
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:23][CH2:24][CH2:25][CH2:26][S:27][c:28]1[c:29]([CH2:38][CH2:39][CH3:40])[c:30]([OH:37])[c:31]([C:34]([CH3:35])=[O:36])[cH:32][cH:33]1.[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([SH: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:43](=[O:44])([O-:45])[O-:46].[CH3:49][C:50](=[O:51])[CH3:52].[I-:42].[K+:41].[K+:47].[K+:48]>>[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([S:22][CH2:24][CH2:25][CH2:26][S:27][c:28]2[c:29]([CH2:38][CH2:39][CH3:40])[c:30]([OH:37])[c:31]([C:34]([CH3:35])=[O:36])[cH:32][cH:33]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]