HRID2315120

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8083

Morpholine

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(-c2noc(COS(C)(=O)=O)n2)cc1NC(=O)c1cnc2ccccn12

HCID86677447

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2noc(CN3CCOCC3)n2)cc1NC(=O)c1cnc2ccccn12

HCID71281207

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03efad3709724849aa9b3d20d21f8b57
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

[CH2:40]1[CH2:41][O:42][CH2:43][CH2:44][NH:45]1.[CH3:1][S:2]([O:3][CH2:6][c:7]1[n:8][c:9](-[c:12]2[cH:13][c:14]([NH:19][C:20](=[O:21])[c:22]3[cH:23][n:24][c:25]4[n:26]3[cH:27][cH:28][cH:29][cH:30]4)[c:15]([CH3:18])[cH:16][cH:17]2)[n:10][o:11]1)(=[O:4])=[O:5].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[CH2:6]([c:7]1[n:8][c:9](-[c:12]2[cH:13][c:14]([NH:19][C:20](=[O:21])[c:22]3[cH:23][n:24][c:25]4[n:26]3[cH:27][cH:28][cH:29][cH:30]4)[c:15]([CH3:18])[cH:16][cH:17]2)[n:10][o:11]1)[N:45]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1