HRID134111

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

HCID67072437

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(CCN(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1

HCID67072063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2186165ec8834bca87c86e480b79445e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([O:7][c:8]1[cH:9][cH:10][c:11]([CH2:14][CH2:15][NH:16][CH3:17])[cH:12][cH:13]1)[CH3:18])=[O:19].[CH3:20][c:21]1[c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27][c:28](-[c:30]2[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]2)[n:29]1.[CH3:40][O:41][C:42](=[O:43])[c:44]1[cH:45][cH:46][c:47](-[c:48]2[cH:49][cH:50][c:51]([C:52]([F:53])([F:54])[F:55])[cH:56][cH:57]2)[n:58][c:59]1[CH3:60]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([O:7][c:8]1[cH:9][cH:10][c:11]([CH2:14][CH2:15][N:16]([CH3:17])[C:23]([c:22]2[c:21]([CH3:20])[n:29][c:28](-[c:30]3[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]3)[cH:27][cH:26]2)=[O:25])[cH:12][cH:13]1)[CH3:18])=[O:19]