HRID303183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

结构：CONC(=O)c1ccc(C)c(Nc2nc(SC)nc(Cl)c2C#N)c1

HCID11574123

未命名化合物

HCID12910381

N,2,2-Trimethylpropan-1-amine

C6H15N

PRODUCTS

生成物

结构：CONC(=O)c1ccc(C)c(Nc2nc(SC)nc(N(C)CC(C)(C)C)c2C#N)c1

HCID11697633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7499c639c7ce46e48aa90accb7fd5247
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

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