HRID162614

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：CCOC(=O)C(C)(C)CC(C)=CCc1c(OC)c(C)c2c(c1OCOC(C)OC)C(=O)OC2

HCID178471351

未命名化合物

PRODUCTS

生成物

结构：COc1c(C)c2c(c(OCOC(C)OC)c1CC=C(C)CC(C)(C)C(=O)O)C(=O)OC2

HCID70303149

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a8998151b1e4abaa90f3c916086d14e
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

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