HRID2128428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21935885

未命名化合物

结构：COC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1C

HCID67072269

未命名化合物

HCID67072273

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1cccc(CN(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2C)c1

HCID67072012

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b5d6a32530d4db4b2a7541437f2e110
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([O:7][c:8]1[cH:9][c:10]([CH2:14][NH:15][CH3:16])[cH:11][cH:12][cH:13]1)[CH3:17])=[O:18].[CH3:19][c:20]1[c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26][c:27](-[c:29]2[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]2)[n:28]1.[CH3:39][O:40][C:41](=[O:42])[c:43]1[cH:44][cH:45][c:46](-[c:47]2[cH:48][cH:49][c:50]([C:51]([F:52])([F:53])[F:54])[cH:55][cH:56]2)[n:57][c:58]1[CH3:59]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([O:7][c:8]1[cH:9][c:10]([CH2:14][N:15]([CH3:16])[C:22]([c:21]2[c:20]([CH3:19])[n:28][c:27](-[c:29]3[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]3)[cH:26][cH:25]2)=[O:24])[cH:11][cH:12][cH:13]1)[CH3:17])=[O:18]