HRID202815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID7914

Isopropyl ether

C6H14O

HCID8028

Tetrahydrofuran

C4H8O

HCID75676

Diethyl (cyanomethyl)phosphonate

C6H12NO3P

HCID166653

Hydride

H-

HCID86643008

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C=CC#N)c(OS(=O)(=O)N(C)C)cc1OC

HCID66657579

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-485742001f7e455cb050a909f4fcb610
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

[C:33](=[O:34])([O-:35])[OH:36].[C:3](#[N:4])[CH2:5][P:6](=[O:7])([O:8][CH2:9][CH3:10])[O:11][CH2:12][CH3:13].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:14][N:15]([S:16]([O:17][c:18]1[c:19]([CH:28]=[O:29])[cH:20][c:21]([O:26][CH3:27])[c:22]([O:24][CH3:25])[cH:23]1)(=[O:30])=[O:31])[CH3:32].[CH:43]([O:44][CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[H-:1].[Na+:2].[Na+:37].[OH2:50]>>[C:3](#[N:4])[CH:5]=[CH:28][c:19]1[c:18]([O:17][S:16]([N:15]([CH3:14])[CH3:32])(=[O:30])=[O:31])[cH:23][c:22]([O:24][CH3:25])[c:21]([O:26][CH3:27])[cH:20]1