HRID313615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID10176255

未命名化合物

HCID21071126

2-Chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethan-1-one

C13H16Cl2N2O2

PRODUCTS

生成物

结构：COc1cc(N2CCN(C(=O)Cn3c(=O)oc4cc(C#N)ccc43)CC2)ccc1Cl

HCID58834355

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-862bd43dfcd5499eb86a2c64efdb0e08
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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