HRID137721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID90290

tert-Butyl 2-bromo-2-methylpropionate

C8H15BrO2

HCID518900

Methyl (4-hydroxyphenyl)acetate

C9H10O3

结构：COC(=O)Cc1ccc(OC(C)(C)C(=O)OC(C)(C)C)cc1

HCID67072091

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CC(=O)O)cc1

HCID67072057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-066158634fee4a4ca0a3b5b2184788c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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