HRID88430

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID7707

3-Phenylpropanal

C9H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID4574913

未命名化合物

结构：CCOP(=O)(OCC)C(CC(=O)OC(C)(C)C)C(=O)O

HCID11151030

未命名化合物

PRODUCTS

生成物

HCID69429571

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da8d7310f84840dfab5ee40656ed0052
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]([C:9](=[O:10])[OH:11])[P:12]([O:13][CH2:14][CH3:15])([O:16][CH2:17][CH3:18])=[O:19])=[O:20].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:21][C:22]([CH3:23])([O-:24])[CH3:25].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH:27]([CH2:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[O:36].[K+:26].[Na+:51].[OH-:50].[OH2:57].[OH:37][C:38]([CH2:39][C:40]([C:41](=[O:42])[OH:43])([CH2:44][C:45](=[O:46])[OH:47])[OH:48])=[O:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][C:8]([C:9](=[O:10])[OH:11])=[CH:27][CH2:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[O:20]