HRID2314149

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID8058

Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID1848511

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

C12H14ClFN2O

HCID178420845

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(Cn1ccc(-c2cccs2)n1)N1CCN(c2ccc(F)cc2)CC1

HCID21071003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-206abd37227b4f3ab752ce7bae02febf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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