HRID319628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1047

Pyrazinoic acid

C5H4N2O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7525

N-Ethylmorpholine

C6H13NO

结构：Cc1cc(N)c2cc(NC(=O)c3ccc(CN)cc3)ccc2n1

HCID17864623

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N)c2cc(NC(=O)c3ccc(CNC(=O)c4cnccn4)cc3)ccc2n1

HCID12110091

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-791bcac3cf7a4f92bcace0d505310cf9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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