HRID1214957

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID57875818

[5-Fluoro-2-(trifluoromethyl)phenyl]-1-piperazinylmethanone

C12H12F4N2O

HCID86028518

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cc(F)ccc1C(F)(F)F)N1CCN(c2ncc(S(=O)(=O)NCCC3CC3)cc2Br)CC1

HCID11296156

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-620aba4feb394cbb8019369c3da6c019
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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