HRID668606

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)CC(=O)c1cccc(-c2ccncc2)c1

HCID69486853

未命名化合物

结构：Cc1cc(N)c(NC(=O)OC(C)(C)C)cc1C(F)(F)F

HCID69489396

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NC(=O)CC(=O)c2cccc(-c3ccncc3)c2)c(NC(=O)OC(C)(C)C)cc1C(F)(F)F

HCID86589270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed714fb418704a84ae2ed2d219c3464b
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[c:9]([NH2:19])[cH:10][c:11]([CH3:18])[c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]1)=[O:20].[C:21]([CH3:23])([CH3:24])([O:25][C:26](=[O:22])[CH2:27][C:28]([c:29]1[cH:30][c:31](-[c:35]2[cH:36][cH:37][n:38][cH:39][cH:40]2)[cH:32][cH:33][cH:34]1)=[O:41])[CH3:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:19][C:26](=[O:25])[CH2:27][C:28]([c:29]2[cH:30][c:31](-[c:35]3[cH:36][cH:37][n:38][cH:39][cH:40]3)[cH:32][cH:33][cH:34]2)=[O:41])[cH:10][c:11]([CH3:18])[c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]1)=[O:20]