HRID281269

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID7762

Ethyl butyrate

C6H12O2

HCID166653

Hydride

H-

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

HCID256278

未命名化合物

PRODUCTS

生成物

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

HCID178450535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45868a50094742d9990fd6d52da5d662
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]([CH2:2][CH2:3][CH3:4])(=[O:5])[O:6][CH2:7][CH3:8].[CH3:35][OH:36].[CH3:37][S:38](=[O:39])[CH3:40].[H-:33].[Na+:34].[OH:9][CH:10]1[CH2:11][CH:12]2[CH2:13][CH2:14][CH:15]3[CH:16]4[CH2:17][CH2:18][CH:19]([C:20]([CH3:21])=[O:22])[C:23]4([CH3:32])[CH2:24][C:25](=[O:31])[CH:26]3[C:27]2([CH3:30])[CH2:28][CH2:29]1>>[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[CH2:21][C:20]([CH:19]1[CH2:18][CH2:17][CH:16]2[CH:15]3[CH2:14][CH2:13][CH:12]4[CH2:11][CH:10]([OH:9])[CH2:29][CH2:28][C:27]4([CH3:30])[CH:26]3[C:25](=[O:31])[CH2:24][C:23]21[CH3:32])=[O:22]