HRID2157884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6584

Methyl acetate

C3H6O2

HCID31275

1,4-Dioxane

C4H8O2

结构：CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1cc(C)c(S(N)(=O)=O)s1

HCID57890069

未命名化合物

PRODUCTS

生成物

HCID176

Acetic Acid

C2H4O2

HCID57890069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae7f81ec44ca4c5b8ec623331bf90cd0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:6]([CH3:7])[C:8]([CH2:9][CH3:10])([c:11]1[cH:12][c:13]([CH3:25])[c:14]([O:17][CH2:18][CH:19]([C:20]([CH3:21])([CH3:22])[CH3:23])[OH:24])[cH:15][cH:16]1)[c:26]1[cH:27][c:28]([CH3:35])[c:29]([S:31](=[O:32])(=[O:33])[NH2:34])[s:30]1.[CH3:1][O:2][C:3]([CH3:4])=[O:5].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1>>[CH2:6]([CH3:7])[C:8]([CH2:9][CH3:10])([c:11]1[cH:12][c:13]([CH3:25])[c:14]([O:17][CH2:18][CH:19]([C:20]([CH3:21])([CH3:22])[CH3:23])[OH:24])[cH:15][cH:16]1)[c:26]1[cH:27][c:28]([CH3:35])[c:29]([S:31](=[O:32])(=[O:33])[NH2:34])[s:30]1.[O:2]=[C:3]([CH3:4])[OH:5]