HRID1238732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CNC(=O)C(NC(=O)C(CC(=O)OCc1ccccc1)n1ccc(-c2ccccc2)c1)C(C)(C)C

HCID18341477

未命名化合物

结构：COC1CC(c2ccc(-c3ccc(C#N)cc3)cc2)C(OC)O1

HCID18380402

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)C(NC(=O)C(CC(=O)OCc1ccccc1)n1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)c1)C(C)(C)C

HCID18341490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-578181de40e9402babe2780449d44635
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

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