HRID143590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID813

Potassium cation

K+

HCID6386

tert-Butyl alcohol

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8868

Ethyl acetoacetate

C6H10O3

HCID2733581

1-(Bromomethyl)-4-methanesulfonylbenzene

C8H9BrO2S

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1ccc(S(C)(=O)=O)cc1)C(C)=O

HCID68780413

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a770bb248d54b4d9f08d36fc298180a
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:21][CH2:22][c:23]1[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[CH3:32])[cH:27][cH:28]1.[CH2:12]([CH3:13])[O:14][C:15]([CH2:16][C:17]([CH3:18])=[O:19])=[O:20].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:7][C:8]([OH:9])([CH3:10])[CH3:11].[K+:6].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH:38][C:39]([CH2:40][C:41]([C:42](=[O:43])[OH:44])([CH2:45][C:46](=[O:47])[OH:48])[OH:49])=[O:50]>>[CH2:12]([CH3:13])[O:14][C:15]([CH:16]([C:17]([CH3:18])=[O:19])[CH2:22][c:23]1[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[CH3:32])[cH:27][cH:28]1)=[O:20]