HRID695431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID24386

Thionyl chloride

Cl2OS

HCID693767

N-(5-Chloro-2-methylphenyl)piperazine

C11H15ClN2

HCID135456970

6-Methyl-2H-pyrazolo[3,4-d]pyrimidin-4-ol

C6H6N4O

PRODUCTS

生成物

结构：Cc1nc(N2CCN(c3cc(Cl)ccc3C)CC2)c2cn[nH]c2n1

HCID67161981

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48147e368a50419e98596dad3b070171
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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