HRID667946

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(OC(C)(C)C)c(-c2ccccc2F)cc1N

HCID70002991

未命名化合物

PRODUCTS

生成物

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

HCID86758253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8234bbdd5aa74039a7248f45e9f53a42
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[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:27].[CH2:28]([O:30][C:31](=[O:29])[CH2:32][C:33]([c:34]1[cH:35][c:36](-[n:40]2[n:41][n:42][cH:43][cH:44]2)[cH:37][cH:38][cH:39]1)=[O:45])[CH3:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[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:31](=[O:30])[CH2:32][C:33]([c:34]1[cH:35][c:36](-[n:40]2[n:41][n:42][cH:43][cH:44]2)[cH:37][cH:38][cH:39]1)=[O:45])=[O:27]