HRID683091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID176

Acetic Acid

C2H4O2

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID30165

Iodide ion

I-

结构：CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2C(=O)CBr

HCID178421489

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C

HCID91061

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da486822207641eb8863fd2c5aa3d33f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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