HRID1205755

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)N1C(=O)C(C)(C)N=C(c2ccccc2Cl)c2cc(NC(=O)NCCO)ccc21

HCID20506159

未命名化合物

结构：CC(C)N1C(=O)C(C)(C)N=C(c2ccccc2Cl)c2cc(N=C=O)ccc21

HCID20506187

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1C(=O)C(C)(C)N=C(c2ccccc2Cl)c2cc(N)ccc21

HCID20506147

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5fb8e3ebfc034d1385ba61d7e99bfa83
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

[Cl:1][c:2]1[c:3]([C:8]2=[N:9][C:10]([CH3:26])([CH3:27])[C:11](=[O:25])[N:12]([CH:22]([CH3:23])[CH3:24])[c:13]3[c:14]2[cH:15][c:16]([N:19]=[C:20]=[O:21])[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1.[Cl:28][c:29]1[cH:30][cH:31][cH:32][cH:33][c:34]1[C:35]1=[N:58][C:55]([CH3:56])([CH3:57])[C:53](=[O:54])[N:49]([CH:50]([CH3:51])[CH3:52])[c:48]2[c:36]1[cH:37][c:38]([NH:39][C:40]([NH:41][CH2:42][CH2:43][OH:44])=[O:45])[cH:46][cH:47]2>>[Cl:1][c:2]1[c:3]([C:8]2=[N:9][C:10]([CH3:26])([CH3:27])[C:11](=[O:25])[N:12]([CH:22]([CH3:23])[CH3:24])[c:13]3[c:14]2[cH:15][c:16]([NH2:19])[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1