HRID2131928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID16785597

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

C8H12N2O2S

HCID45791239

未命名化合物

PRODUCTS

生成物

结构：CNS(=O)(=O)c1cccc(CNC(=O)c2cnc(-c3cccnc3)nc2C)c1

HCID16665478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3368977941974879962c25443a0a0c27
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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:26].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[n:1]1[cH:2][c:3](-[c:7]2[n:8][cH:9][c:10]([C:14](=[O:15])[OH:16])[c:11]([CH3:13])[n:12]2)[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3](-[c:7]2[n:8][cH:9][c:10]([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)[c:11]([CH3:13])[n:12]2)[cH:4][cH:5][cH:6]1