HRID1134184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1068

Dimethyl sulfide

C2H6S

HCID3283

Diethyl Ether

C4H10O

HCID140714

Chloroborane

H2BCl

结构：C=CCC(C(=O)OCc1ccccc1)(C(=O)OC(C)(C)C)C(CC(C)C)C(=O)OCc1ccccc1

HCID178447468

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)OCc1ccccc1)C(CCCO)(C(=O)OCc1ccccc1)C(=O)OC(C)(C)C

HCID178445443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac92a54abe444887a8d0d52f5df13918
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

[CH3:1][CH:2]([CH2:3][CH:4]([C:5]([C:6](=[O:7])[O:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:23][CH:24]=[CH2:25])[C:26](=[O:27])[O:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[CH3:36].[CH3:37][S:38][CH3:39].[CH3:59][CH2:60][O:61][CH2:62][CH3:63].[Cl:40][BH2:41].[Na+:43].[OH-:42].[OH2:64].[OH:44][OH:45].[OH:46][C:47]([CH2:48][C:49]([C:50](=[O:51])[OH:52])([CH2:53][C:54](=[O:55])[OH:56])[OH:57])=[O:58]>>[CH3:1][CH:2]([CH2:3][CH:4]([C:5]([C:6](=[O:7])[O:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:23][CH2:24][CH2:25][OH:46])[C:26](=[O:27])[O:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[CH3:36]