HRID305284

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+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

结构：CCOC(=O)COc1cc(C(=O)c2ccc(OCC(C)C)cc2OCC(C)C)ccc1OCC(C)C

HCID17816467

未命名化合物

PRODUCTS

生成物

结构：CC(C)COc1ccc(C(=O)c2ccc(OCC(C)C)c(OCC(=O)O)c2)c(OCC(C)C)c1

HCID17816491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-086a6ce511b84500979d9fc3b44604fd
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

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