HRID181381

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID728670

4-Pyridinamine, 2-methyl-

C6H8N2

结构：CCS(=O)(=O)N1CC=C(c2cnc(N)c(C(=O)O)n2)CC1

HCID66744867

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)N1CC=C(c2cnc(N)c(C(=O)Nc3ccnc(C)c3)n2)CC1

HCID66745479

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44fba239f3e54110a8f0d3f367d0a452
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

[C:22]([n:23]1[cH:24][cH:25][n:26][cH:27]1)([n:28]1[cH:29][cH:30][n:31][cH:32]1)=[O:33].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][c:42]1[n:43][cH:44][cH:45][c:46]([NH2:48])[cH:47]1.[CH3:49][N:50]([c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1)[CH3:57].[NH2:1][c:2]1[c:3]([C:19](=[O:20])[OH:21])[n:4][c:5]([C:8]2=[CH:13][CH2:12][N:11]([S:14](=[O:15])(=[O:16])[CH2:17][CH3:18])[CH2:10][CH2:9]2)[cH:6][n:7]1>>[NH2:1][c:2]1[c:3]([C:19](=[O:21])[NH:48][c:46]2[cH:45][cH:44][n:43][c:42]([CH3:41])[cH:47]2)[n:4][c:5]([C:8]2=[CH:13][CH2:12][N:11]([S:14](=[O:15])(=[O:16])[CH2:17][CH3:18])[CH2:10][CH2:9]2)[cH:6][n:7]1