HRID308904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69592868

Ethyl β-oxo-3-(1H-1,2,3-triazol-1-yl)benzenepropanoate

C13H13N3O3

结构：COc1cc(NC(=O)OC(C)(C)C)c(N)cc1-c1cc(F)ccc1F

HCID70001319

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-n3ccnn3)c2)cc1-c1cc(F)ccc1F

HCID86758260

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e18701b8b652427ab382a8e761551f42
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

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