HRID821721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID962

Water

H2O

HCID1117

Sulfate

O4S-2

HCID6344

Dichloromethane

CH2Cl2

HCID6410

tert-Butyl hydroperoxide

C4H10O2

HCID27284

Fe +2 ion

Fe+2

HCID114942

Titanium(4+)

Ti+4

HCID3260420

未命名化合物

4 次

结构：CCCCC(C)(C)C(O)C=CC1C(O)CC(Cl)C1CC=CCCCC(=O)OC

HCID178443763

未命名化合物

PRODUCTS

生成物

结构：CCCCC(C)(C)C(O)C1OC1C1C(O)CC(Cl)C1CC=CCCCC(=O)OC

HCID178443742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed9d89c4a59343ab974977c7971a2b4c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:29]([CH3:31])([CH3:32])([O:33][OH:30])[CH3:34].[CH2:48]([Cl:49])[Cl:50].[CH3:52][CH:53]([CH3:54])[O-:55].[CH3:57][CH:58]([CH3:59])[O-:60].[CH3:61][CH:62]([CH3:63])[O-:64].[CH3:65][CH:66]([CH3:67])[O-:68].[Cl:1][CH:2]1[CH:3]([CH2:4][CH:5]=[CH:6][CH2:7][CH2:8][CH2:9][C:10](=[O:11])[O:12][CH3:13])[CH:14]([CH:18]=[CH:19][CH:20]([C:21]([CH2:22][CH2:23][CH2:24][CH3:25])([CH3:26])[CH3:27])[OH:28])[CH:15]([OH:17])[CH2:16]1.[Fe+2:74].[OH2:51].[OH:35][C:36]([CH2:37][C:38]([C:39](=[O:40])[OH:41])([CH2:42][C:43](=[O:44])[OH:45])[OH:46])=[O:47].[S:69]([O-:70])([O-:71])(=[O:72])=[O:73].[Ti+4:56]>>[Cl:1][CH:2]1[CH:3]([CH2:4][CH:5]=[CH:6][CH2:7][CH2:8][CH2:9][C:10](=[O:11])[O:12][CH3:13])[CH:14]([CH:18]2[CH:19]([CH:20]([C:21]([CH2:22][CH2:23][CH2:24][CH3:25])([CH3:26])[CH3:27])[OH:28])[O:33]2)[CH:15]([OH:17])[CH2:16]1