HRID315203

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

结构：COC(=O)Cc1cc(C(=O)c2ccc(OCC(C)C)cc2OCC(C)C)ccc1OCC(C)C

HCID17816545

未命名化合物

PRODUCTS

生成物

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

HCID17816564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72261ccd1f2f45528f5405ae1c2ea688
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:21][CH2:22][CH:23]([CH3:24])[CH3:25])[c:14]([CH2:16][C:17](=[O:18])[O:19][CH3:20])[cH:15]2)[cH:26][cH:27][c:28]([O:30][CH2:31][CH:32]([CH3:33])[CH3:34])[cH:29]1.[CH3:42][OH:43].[CH:37]([Cl:38])([Cl:39])[Cl:40].[ClH:41].[Na+:36].[OH-:35].[OH2:44]>>[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:21][CH2:22][CH:23]([CH3:24])[CH3:25])[c:14]([CH2:16][C:17](=[O:18])[OH:19])[cH:15]2)[cH:26][cH:27][c:28]([O:30][CH2:31][CH:32]([CH3:33])[CH3:34])[cH:29]1