HRID1238133

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

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：O=C([O-])c1cc(-c2cncc(Cl)c2)cnc1-c1ccccn1

HCID59187387

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC

HCID44633765

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae6b946e392e4d4088d800868da9bf99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:36]([Cl:37])[CH2:38][Cl:39].[CH3:24][O:25][c:26]1[n:27][c:28]([CH2:34][NH2:35])[cH:29][cH:30][c:31]1[O:32][CH3:33].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH:50]([N:51]([CH:52]([CH3:53])[CH3:54])[CH2:55][CH3:56])([CH3:57])[CH3:58].[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10]([C:20](=[O:21])[O-:22])[c:11](-[c:14]3[n:15][cH:16][cH:17][cH:18][cH:19]3)[n:12][cH:13]2)[cH:5][n:6][cH:7]1.[Na+:23].[OH:40][n:41]1[c:42]2[n:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10]([C:20](=[O:22])[NH:35][CH2:34][c:28]3[n:27][c:26]([O:25][CH3:24])[c:31]([O:32][CH3:33])[cH:30][cH:29]3)[c:11](-[c:14]3[n:15][cH:16][cH:17][cH:18][cH:19]3)[n:12][cH:13]2)[cH:5][n:6][cH:7]1