HRID319627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1

HCID178466306

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC2(CCNCC2)CC1

HCID70941860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b7505cf416344e3b85df5e56ebc146a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][CH2:13]1)[CH2:14][CH2:15][N:16]([C:19](=[O:20])[N:21]1[C:22]([c:42]3[cH:43][n:44][c:45]([C:51]([CH3:52])([CH3:53])[CH3:54])[cH:46][c:47]3[O:48][CH2:49][CH3:50])=[N:23][C:24]([CH3:34])([c:35]3[cH:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]3)[C:25]1([CH3:26])[c:27]1[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]1)[CH2:17][CH2:18]2)([CH3:5])([CH3:6])[CH3:7].[OH:55][C:56]([C:57]([F:58])([F:59])[F:60])=[O:61]>>[NH:8]1[CH2:9][CH2:10][C:11]2([CH2:12][CH2:13]1)[CH2:14][CH2:15][N:16]([C:19](=[O:20])[N:21]1[C:22]([c:42]3[cH:43][n:44][c:45]([C:51]([CH3:52])([CH3:53])[CH3:54])[cH:46][c:47]3[O:48][CH2:49][CH3:50])=[N:23][C:24]([CH3:34])([c:35]3[cH:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]3)[C:25]1([CH3:26])[c:27]1[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]1)[CH2:17][CH2:18]2