HRID1212443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID2724942

未命名化合物

HCID2776437

5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbaldehyde

C11H10N2O

HCID14086438

2-Chloro-3-(piperazin-1-yl)pyrazine

C8H11ClN4

PRODUCTS

生成物

结构：Cc1c(CN2CCN(c3nccnc3Cl)CC2)cnn1-c1ccccc1

HCID86641663

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c912925750146b18ea88adec5be5fbe
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:28]([O:29][BH-:30]([O:31][C:32](=[O:33])[CH3:34])[O:35][C:36](=[O:37])[CH3:38])(=[O:39])[CH3:40].[CH3:14][c:15]1[c:16]([CH:26]=[O:27])[cH:17][n:18][n:19]1-[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[Cl:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1.[Na+:41].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[Cl:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:26][c:16]3[c:15]([CH3:14])[n:19](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[n:18][cH:17]3)[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1