HRID826218

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID611409

1-Bromo-3,4,5-trifluorobenzene

C6H2BrF3

HCID4413076

Phosphinate

H2O2P-

结构：COCOc1cc(OS(=O)(=O)C(F)(F)F)ccc1CCNS(=O)(=O)c1cc(C#N)ccc1OC

HCID18456955

未命名化合物

PRODUCTS

生成物

结构：COCOc1cc(-c2cc(F)c(F)c(F)c2)ccc1CCNS(=O)(=O)c1cc(C#N)ccc1OC

HCID18456964

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-caf2d88b3f344260a81592105f857b58
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:40][c:41]1[cH:42][c:43]([F:49])[c:44]([F:48])[c:45]([F:47])[cH:46]1.[CH2:61]1[O:62][CH2:63][CH2:64][O:65][CH2:66]1.[CH3:36][C:37](=[O:38])[O-:39].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][c:9]([O:29][CH2:30][O:31][CH3:32])[c:10]([CH2:13][CH2:14][NH:15][S:16](=[O:17])(=[O:18])[c:19]2[c:20]([O:27][CH3:28])[cH:21][cH:22][c:23]([C:25]#[N:26])[cH:24]2)[cH:11][cH:12]1)(=[O:33])=[O:34].[K+:35].[K+:53].[OH2:54].[PH2:50](=[O:51])[O-:52]>>[c:7]1(-[c:41]2[cH:42][c:43]([F:49])[c:44]([F:48])[c:45]([F:47])[cH:46]2)[cH:8][c:9]([O:29][CH2:30][O:31][CH3:32])[c:10]([CH2:13][CH2:14][NH:15][S:16](=[O:17])(=[O:18])[c:19]2[c:20]([O:27][CH3:28])[cH:21][cH:22][c:23]([C:25]#[N:26])[cH:24]2)[cH:11][cH:12]1