HRID194660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(=O)OC1CCC2(C)C(CCC3=C4C(=O)CC(C(C)CCC=C(C)C)C4(C)CCC32)C1

HCID178475341

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC1CCC2(C)C(CCC3=C4C(=O)CC(C(C)CCC(O)C(C)C)C4(C)CCC32)C1

HCID178475344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-518404250cbb449a95c6bb89ae0881c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][CH:7]2[CH2:8][CH2:9][C:10]3=[C:11]4[C:12](=[O:32])[CH2:13][CH:14]([CH:15]([CH2:16][CH2:17][CH:18]=[C:19]([CH3:20])[CH3:21])[CH3:22])[C:23]4([CH3:31])[CH2:24][CH2:25][CH:26]3[C:27]2([CH3:30])[CH2:28][CH2:29]1.[CH3:34][C:35]([O-:36])=[O:37].[Na+:33].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH2:40].[OH:38][OH:39]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][CH:7]2[CH2:8][CH2:9][C:10]3=[C:11]4[C:12](=[O:32])[CH2:13][CH:14]([CH:15]([CH2:16][CH2:17][CH:18]([CH:19]([CH3:20])[CH3:21])[OH:36])[CH3:22])[C:23]4([CH3:31])[CH2:24][CH2:25][CH:26]3[C:27]2([CH3:30])[CH2:28][CH2:29]1