HRID680540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69592846

未命名化合物

结构：COc1cc(NC(=O)OC(C)(C)C)c(N)cc1-c1ccccc1F

HCID70002686

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2ccc(C#N)s2)cc1-c1ccccc1F

HCID86758247

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f09d696249164517acd55dd2e6e2a776
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][CH3:23])[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:24].[C:25]([CH3:27])([CH3:28])([O:29][C:30](=[O:26])[CH2:31][C:32](=[O:33])[c:34]1[s:35][c:36]([C:39]#[N:40])[cH:37][cH:38]1)[CH3:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([O:22][CH3:23])[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:30](=[O:29])[CH2:31][C:32](=[O:33])[c:34]1[s:35][c:36]([C:39]#[N:40])[cH:37][cH:38]1)=[O:24]