HRID1226770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3121

Valproic acid

C8H16O2

结构：CC1C=CC2=CCCC(O)C2C1CCC1CC(C(C)(C)C)C(O[SiH](C)C)C(=O)O1

HCID178422699

未命名化合物

PRODUCTS

生成物

结构：CCCC(CCC)C(=O)OC1CCC=C2C=CC(C)C(CCC3CC(C(C)(C)C)C(O[SiH](C)C)C(=O)O3)C21

HCID178443846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a98eb36341a4aaf8c94effe02cb4687
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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