HRID99546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID702

Ethanol

C2H6O

HCID7912

Diisopropylamine

C6H15N

HCID8058

n-Hexane

C6H14

HCID15413

Methyl tert-butyl ether

C5H12O

HCID67235307

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

HCID53242013

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-312e2b4ea1214efe8ca86aaa40da220c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:50]([O:51][CH3:52])([CH3:53])([CH3:54])[CH3:55].[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH3:56][CH2:57][OH:58].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[OH:31][C:32]([CH2:33][C:34]([C:35](=[O:36])[OH:37])([CH2:38][C:39](=[O:40])[OH:41])[OH:42])=[O:43].[n:13]1(-[c:18]2[c:19]([CH2:24][CH2:25][C:26]([O:28][CH2:27][CH3:29])=[O:30])[cH:20][cH:21][cH:22][cH:23]2)[cH:14][n:15][cH:16][cH:17]1>>[n:13]12[c:14]([n:15][cH:16][cH:17]1)[C:26](=[O:28])[CH2:25][CH2:24][c:19]1[c:18]-2[cH:23][cH:22][cH:21][cH:20]1