HRID698596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1047

Pyrazinoic acid

C5H4N2O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

结构：CC1(C)Cc2cc(C(=O)O)ccc2NC1c1cccc(N)c1

HCID67441465

未命名化合物

PRODUCTS

生成物

结构：CC1(C)Cc2cc(C(=O)O)ccc2NC1c1cccc(NC(=O)c2cnccn2)c1

HCID53492379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-132e44bb7ea748d88748154a75d324d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:10]([n:11]1[cH:12][cH:13][n:14][cH:15]1)([n:16]1[cH:17][cH:18][n:19][cH:20]1)=[O:21].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[NH2:22][c:23]1[cH:24][c:25]([CH:29]2[NH:30][c:31]3[cH:32][cH:33][c:34]([C:41](=[O:42])[OH:43])[cH:35][c:36]3[CH2:37][C:38]2([CH3:39])[CH3:40])[cH:26][cH:27][cH:28]1.[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:22][c:23]2[cH:24][c:25]([CH:29]3[NH:30][c:31]4[cH:32][cH:33][c:34]([C:41](=[O:42])[OH:43])[cH:35][c:36]4[CH2:37][C:38]3([CH3:39])[CH3:40])[cH:26][cH:27][cH:28]2)[cH:3][n:4][cH:5][cH:6]1