HRID801581

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

HCID1380716

4-chloro-5-methyl-1H-pyrazol-3-amine

C4H6ClN3

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)Cn3nc(N)c(Cl)c3C)CC2)ccc1Cl

HCID21071046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6b95f2db81c4268ae2e88afa3dda441
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

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:15][CH2:16][C:17](=[O:18])[N:19]1[CH2:20][CH2:21][N:22]([c:25]2[cH:26][c:27]([O:32][CH3:33])[c:28]([Cl:31])[cH:29][cH:30]2)[CH2:23][CH2:24]1.[Cl:1][c:2]1[c:3]([NH2:8])[n:4][nH:5][c:6]1[CH3:7].[K+:10].[K+:9].[O-:11][C:12]([O-:13])=[O:14].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38]>>[Cl:1][c:2]1[c:3]([NH2:8])[n:4][n:5]([CH2:16][C:17](=[O:18])[N:19]2[CH2:20][CH2:21][N:22]([c:25]3[cH:26][c:27]([O:32][CH3:33])[c:28]([Cl:31])[cH:29][cH:30]3)[CH2:23][CH2:24]2)[c:6]1[CH3:7]