HRID2327985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7268

Diethyl oxalate

C6H10O4

HCID119440

1-Hydroxyethyl radical

C2H5O-

结构：CC(=O)c1cc(C(C)(C)C)c(OCc2ccccc2)cc1OCc1ccccc1

HCID24773453

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(O)=CC(=O)c1cc(C(C)(C)C)c(OCc2ccccc2)cc1OCc1ccccc1

HCID178473080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a25ea07ab29d42b082c99393157acdb5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:34]([C:35](=[O:36])[O:37][CH2:38][CH3:39])(=[O:40])[O:41][CH2:42][CH3:43].[CH2:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[O:12][c:13]1[c:14]([C:31]([CH3:32])=[O:33])[cH:15][c:16]([C:27]([CH3:28])([CH3:29])[CH3:30])[c:17]([O:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:18]1.[CH3:2][CH2:3][O-:4].[CH3:45][CH2:46][OH:47].[ClH:44].[Na+:1].[OH2:48]>>[CH2:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[O:12][c:13]1[c:14]([C:31]([CH:32]=[C:34]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[OH:40])=[O:33])[cH:15][c:16]([C:27]([CH3:28])([CH3:29])[CH3:30])[c:17]([O:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:18]1