HRID121095

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Oc2ccccc2)cc1

HCID53630185

未命名化合物

HCID59557960

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(C)c3)cc2F)cc1

HCID53630184

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09b7ab56be5641149253e0fb3b1fa3b2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7](-[n:10]2[n:11][c:12]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:13][c:14]2[NH:15][C:16](=[O:17])[O:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:8][cH:9]1)=[O:29].[F:30][c:31]1[c:32]([NH2:45])[cH:33][cH:34][c:35]([O:37][c:38]2[cH:39][c:40]([CH3:44])[n:41][cH:42][cH:43]2)[cH:36]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7](-[n:10]2[n:11][c:12]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:13][c:14]2[NH:15][C:16](=[O:17])[NH:45][c:32]2[c:31]([F:30])[cH:36][c:35]([O:37][c:38]3[cH:39][c:40]([CH3:44])[n:41][cH:42][cH:43]3)[cH:34][cH:33]2)[cH:8][cH:9]1)=[O:29]