HRID2344146

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID68263

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

C7H6N4O

HCID78346

Pyrimidine-5-carboxylic acid

C5H4N2O2

结构：NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O

HCID21988526

未命名化合物

PRODUCTS

生成物

结构：O=C1CCC(N2C(=O)c3cccc(CNC(=O)c4cncnc4)c3C2=O)C(=O)N1

HCID58827293

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-957106ccad454a07a410046e62e8fadd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[ClH:22].[NH2:23][CH2:24][c:25]1[c:26]2[c:30]([cH:31][cH:32][cH:33]1)[C:29](=[O:34])[N:28]([CH:35]1[C:36](=[O:42])[NH:37][C:38](=[O:41])[CH2:39][CH2:40]1)[C:27]2=[O:43].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[n:1]1[cH:2][n:3][cH:4][c:5]([C:7](=[O:8])[OH:9])[cH:6]1>>[n:1]1[cH:2][n:3][cH:4][c:5]([C:7](=[O:9])[NH:23][CH2:24][c:25]2[c:26]3[c:30]([cH:31][cH:32][cH:33]2)[C:29](=[O:34])[N:28]([CH:35]2[C:36](=[O:42])[NH:37][C:38](=[O:41])[CH2:39][CH2:40]2)[C:27]3=[O:43])[cH:6]1