HRID92135

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

结构：CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12

HCID4159

未命名化合物

HCID61351

3-Ethoxypropanoic acid

C5H10O3

PRODUCTS

生成物

结构：CCOCCC(=O)OCC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3C(O)CC21C

HCID178467870

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e9f40e0242545328ba8aecf7067431e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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