HRID190116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID57484712

1-(5,6-Dimethoxypyridin-2-yl)methanamine

C8H12N2O2

结构：Cc1cncc(-c2cc(C(=O)[O-])c(-c3nccs3)cn2)c1

HCID58394283

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC

HCID46190695

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-011ee735a98a47989e61e7ad4f49ce0b
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

[CH2:35]([Cl:36])[CH2:37][Cl:38].[CH3:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11](-[c:17]3[s:18][cH:19][cH:20][n:21]3)[c:12]([C:14](=[O:15])[O-:16])[cH:13]2)[cH:5][n:6][cH:7]1.[CH3:23][O:24][c:25]1[n:26][c:27]([CH2:33][NH2:34])[cH:28][cH:29][c:30]1[O:31][CH3:32].[CH:49]([N:50]([CH:51]([CH3:52])[CH3:53])[CH2:54][CH3:55])([CH3:56])[CH3:57].[K+:22].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH:39][n:40]1[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH3:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11](-[c:17]3[s:18][cH:19][cH:20][n:21]3)[c:12]([C:14](=[O:16])[NH:34][CH2:33][c:27]3[n:26][c:25]([O:24][CH3:23])[c:30]([O:31][CH3:32])[cH:29][cH:28]3)[cH:13]2)[cH:5][n:6][cH:7]1