HRID95993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID61778

Bisulfate anion

HO4S-

HCID166653

Hydride

H-

HCID2773685

tert-Butyl diethylphosphonoacetate

C10H21O5P

HCID86662114

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(C2CCC(C=CC(=O)OC(C)(C)C)CC2)cc1

HCID66739912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba208379ef7a4c8b95f178193f8e59b4
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

[CH2:1]([O:2][P:3]([O:4][CH2:5][CH3:6])(=[O:7])[CH2:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH3:8].[CH:19](=[O:20])[CH:21]1[CH2:22][CH2:23][CH:24]([c:27]2[cH:28][cH:29][c:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:36][cH:37]2)[CH2:25][CH2:26]1.[H-:17].[K+:43].[Na+:18].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[S:38]([O-:39])([OH:40])(=[O:41])=[O:42]>>[CH:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[CH:19][CH:21]1[CH2:22][CH2:23][CH:24]([c:27]2[cH:28][cH:29][c:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:36][cH:37]2)[CH2:25][CH2:26]1