HRID154007

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

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID84130

Ethyl 5-oxohexanoate

C8H14O3

HCID3280088

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

HCID173419702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6500c2e958d49e19f3c72ae3c0c99e3
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: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].[CH3:27][Si:28]([N-:29][Si:30]([CH3:31])([CH3:32])[CH3:33])([CH3:34])[CH3:35].[CH3:48][C:49](=[O:50])[OH:51].[CH3:57][CH2:58][O:59][CH2:60][CH3:61].[Li+:36].[O:37]=[C:38]([CH2:39][CH2:40][CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46])[CH3:47].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:62]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5]([CH:6]=[CH:7][CH:8]1[CH:9]2[CH2:10][CH:11]([C:38]([OH:37])([CH2:39][CH2:40][CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46])[CH3:47])[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]