HRID2140075

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID76937

Pyrazole, 4-bromo-3,5-dimethyl-

C5H7BrN2

HCID1848511

1-(CHLOROACETYL)-4-(4-FLUOROPHENYL)PIPERAZINE

C12H14ClFN2O

PRODUCTS

生成物

结构：Cc1nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1Br

HCID21071005

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5e3b20118894f4689fc914bdd608a0f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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