HRID214630

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID16785597

3-(Aminomethyl)-N-methylbenzene-1-sulfonamide

C8H12N2O2S

HCID24903637

2-(Pyridin-3-yl)pyrimidine-5-carboxylic acid

C10H7N3O2

PRODUCTS

生成物

结构：CNS(=O)(=O)c1cccc(CNC(=O)c2cnc(-c3cccnc3)nc2)c1

HCID59805838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33fa960acac14910b7522b4dc7937c79
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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