HRID1231818

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

HCID178469061

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc(C)nn1CC(=O)N1CCN(c2ccc(F)cc2)CC1

HCID58778017

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d755288e4b2443b96512018b4efa102
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

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