HRID1571686

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID28486

Lithium ion

Li+

HCID554053

Pentanoic acid, 5-oxo-, methyl ester

C6H10O3

HCID5062348

未命名化合物

结构：C[SiH](C)OC(C=CC1CCC2C(=O)CCC12)(C1CCCCC1)C(C)(C)C

HCID173419645

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCCC=C1CC2C(C=CC(O[SiH](C)C)(C3CCCCC3)C(C)(C)C)CCC2C1=O

HCID173419680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d05c08f3b65e419eacf50657523ffd94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5]([CH:6]=[CH:7][CH:8]1[CH:9]2[CH2:10][CH2:11][C:12](=[O:16])[CH:13]2[CH2:14][CH2:15]1)([CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]1)[O:23][SiH:24]([CH3:25])[CH3:26].[CH3:35][O:36][C:37](=[O:38])[CH2:39][CH2:40][CH2:41][CH:42]=[O:43].[CH3:44][C:45](=[O:46])[OH:47].[CH3:48][CH2:49][O:50][CH2:51][CH3:52].[CH:27]([N-:28][CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[Li+:34].[OH2:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5]([CH:6]=[CH:7][CH:8]1[CH:9]2[CH2:10][C:11](=[CH:42][CH2:41][CH2:40][CH2:39][C:37]([O:36][CH3:35])=[O:38])[C:12](=[O:16])[CH:13]2[CH2:14][CH2:15]1)([CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]1)[O:23][SiH:24]([CH3:25])[CH3:26]