HRID954127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6328

Methyl iodide

CH3I

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID31275

1,4-Dioxane

C4H8O2

HCID4574913

未命名化合物

结构：COC(=O)C(CC(C)C)c1cc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(-c2cc(F)cc(C(F)(F)F)c2)c1

HCID57754918

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CC(C)C)c1cc(-c2cc(F)cc(C(F)(F)F)c2)cc(N(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

HCID57666703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e76b70b122740ce839ecdeff7482650
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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