HRID1569772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6395

Methanesulfonic acid

CH4O3S

HCID68263

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

C7H6N4O

HCID2794785

4-(4-methyl-4H-1,2,4-triazol-3-yl)aniline

C9H10N4

HCID59443280

未命名化合物

PRODUCTS

生成物

结构：Cn1cnnc1-c1ccc(NC(=O)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1

HCID46200744

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a614b77bf01c4308b50fb61af94f2a21
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:14](=[O:15])([n:16]1[cH:17][cH:18][n:19][cH:20]1)[n:21]1[cH:22][cH:23][n:24][cH:25]1.[CH3:1][n:2]1[c:3](-[c:7]2[cH:8][cH:9][c:10]([NH2:13])[cH:11][cH:12]2)[n:4][n:5][cH:6]1.[CH3:26][S:27]([OH:28])(=[O:29])=[O:30].[NH2:31][CH2:32][c:33]1[cH:34][c:35]2[c:39]([cH:40][cH:41]1)[C:38](=[O:42])[N:37]([CH:43]1[C:44](=[O:50])[NH:45][C:46](=[O:49])[CH2:47][CH2:48]1)[CH2:36]2.[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[CH3:1][n:2]1[c:3](-[c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[NH:31][CH2:32][c:33]3[cH:34][c:35]4[c:39]([cH:40][cH:41]3)[C:38](=[O:42])[N:37]([CH:43]3[C:44](=[O:50])[NH:45][C:46](=[O:49])[CH2:47][CH2:48]3)[CH2:36]4)[cH:11][cH:12]2)[n:4][n:5][cH:6]1