HRID316687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID7953

2,4,6-Trimethylpyridine

C8H11N

结构：CC(=O)OCC(=O)C1CCC2C3CCC4CC(OS(=O)(=O)c5ccc(C)cc5)CCC4(C)C3C(=O)CC12C

HCID178476416

未命名化合物

PRODUCTS

生成物

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

HCID178476407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a16f3d021a44656851f80bc50541d4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][C:6]([CH:7]1[CH2:8][CH2:9][CH:10]2[CH:11]3[CH2:12][CH2:13][CH:14]4[CH2:15][CH:16]([O:27][S:28]([c:29]5[cH:30][cH:31][c:32]([CH3:33])[cH:34][cH:35]5)(=[O:36])=[O:37])[CH2:17][CH2:18][C:19]4([CH3:20])[CH:21]3[C:22](=[O:26])[CH2:23][C:24]12[CH3:25])=[O:38].[ClH:40].[OH2:39].[n:41]1[c:42]([CH3:43])[cH:44][c:45]([CH3:46])[cH:47][c:48]1[CH3:49]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][C:6]([CH:7]1[CH2:8][CH2:9][CH:10]2[CH:11]3[CH2:12][CH2:13][CH:14]4[CH2:15][CH:16]=[CH:17][CH2:18][C:19]4([CH3:20])[CH:21]3[C:22](=[O:26])[CH2:23][C:24]12[CH3:25])=[O:38]