HRID1561884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID97472

4-Hydroxybenzylamine

C7H9NO

HCID2724942

未命名化合物

结构：O=Cc1ccc(-c2nc3ccn4cnnc4c3cc2-c2ccccc2)cc1

HCID59472904

4-(9-Phenyl[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)benzaldehyde

C22H14N4O

PRODUCTS

生成物

结构：Oc1ccc(CNCc2ccc(-c3nc4ccn5cnnc5c4cc3-c3ccccc3)cc2)cc1

HCID15979638

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48dccfb029cb4532ade4766b4fd25e21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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