HRID141410

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID108

3-Pyridineacetic acid

C7H7NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID24738830

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2ccccc2)c1-c1cn2ccc(NC(=O)Cc3cccnc3)cc2n1

HCID69067454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ffe6f61177b4e188410beb012a049c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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