HRID186948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID702

Ethanol

C2H6O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID30165

Iodide ion

I-

HCID367201

Butyllithium

C4H9Li

PRODUCTS

产物

HCID22347595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-734633db8fcf4097bae3bc5bb4ae25de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH2:24]([Li:25])[CH2:26][CH2:27][CH3:28].[CH2:77]1[O:78][CH2:79][CH2:80][CH2:81]1.[CH3:29][O:30][c:31]1[cH:32][c:33]([CH:34]=[CH:35][C:36]([O:37][CH2:38][CH3:39])=[O:40])[cH:41][cH:42][cH:43]1.[CH3:57][O:58][c:59]1[cH:60][c:61]([CH:65]2[C:66]([CH3:73])([CH3:74])[CH:67]2[C:68](=[O:69])[O:70][CH2:71][CH3:72])[cH:62][cH:63][cH:64]1.[CH3:82][CH2:83][OH:84].[CH:2]([P+:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)([CH3:22])[CH3:23].[I-:1].[Li+:76].[OH-:75].[OH2:85].[OH:44][C:45]([CH2:46][C:47]([C:48](=[O:49])[OH:50])([CH2:51][C:52](=[O:53])[OH:54])[OH:55])=[O:56]>>[CH3:57][O:58][c:59]1[cH:60][c:61]([CH:65]2[C:66]([CH3:73])([CH3:74])[CH:67]2[C:68](=[O:69])[OH:70])[cH:62][cH:63][cH:64]1