HRID1115156

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：CC(C)(C)OC(=O)Nc1cc(OCC(F)(F)F)c(-c2ccccc2F)cc1N

HCID69688642

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cc(OCC(F)(F)F)c(-c2ccccc2F)cc1NC(=O)CC(=O)c1cccc(-n2ccnn2)c1

HCID86586820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bf71283fae941c6a5b4d2d6ce41de0d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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:22][CH2:23][C:24]([F:25])([F:26])[F:27])[c:11](-[c:15]2[c:16]([F:21])[cH:17][cH:18][cH:19][cH:20]2)[cH:12][c:13]1[NH2:14])=[O:28].[CH2:29]([O:31][C:32](=[O:30])[CH2:33][C:34]([c:35]1[cH:36][c:37](-[n:41]2[n:42][n:43][cH:44][cH:45]2)[cH:38][cH:39][cH:40]1)=[O:46])[CH3:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([O:22][CH2:23][C:24]([F:25])([F:26])[F:27])[c:11](-[c:15]2[c:16]([F:21])[cH:17][cH:18][cH:19][cH:20]2)[cH:12][c:13]1[NH:14][C:32](=[O:31])[CH2:33][C:34]([c:35]1[cH:36][c:37](-[n:41]2[n:42][n:43][cH:44][cH:45]2)[cH:38][cH:39][cH:40]1)=[O:46])=[O:28]