HRID2346868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID679

Dimethyl sulfoxide

C2H6OS

HCID81531

Diisopropylethylamine

C8H19N

HCID11369405

未命名化合物

HCID58170015

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C)n2nc(-c3ccccc3)nc(NCCNc3ccc(C#N)cn3)c12

HCID25168465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1baada4bdc214892a87045ec881c455a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:42][S:43]([CH3:44])=[O:45].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[n:3][c:4](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:5][n:6]2[c:7]1[c:8]([CH3:12])[n:9][c:10]2[CH3:11].[ClH:19].[ClH:20].[NH2:21][CH2:22][CH2:23][NH:24][c:25]1[n:26][cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32]1>>[c:2]1([NH:21][CH2:22][CH2:23][NH:24][c:25]2[n:26][cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32]2)[n:3][c:4](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:5][n:6]2[c:7]1[c:8]([CH3:12])[n:9][c:10]2[CH3:11]