HRID165610

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

HCID1848511

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

C12H14ClFN2O

HCID178506300

未命名化合物

PRODUCTS

生成物

结构：O=C(Cn1cc(Cl)c(C(F)(F)F)n1)N1CCN(c2ccc(F)cc2)CC1

HCID21071067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed30873f641044ed81e95e0a83c07df2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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