HRID1206973

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1cc(NC(=O)OC(C)(C)C)c(N)cc1C(F)(F)F

HCID69489607

未命名化合物

HCID69592816

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2ccnc(C#N)c2)cc1C(F)(F)F

HCID86586980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25c2b8bb38c64d9bb6b5504a4c6fd526
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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