HRID1200678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

结构：NC(=O)c1ccc(-c2ccc(-c3ccn(C(CC(=O)O)C(=O)NC(CO)Cc4ccccc4)c3)cc2)cc1

HCID18380373

未命名化合物

结构：CNC(=O)C(NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(C)(C)C

HCID20696928

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)=O)cc3)cc2)c1)C(C)(C)C

HCID18341488

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecd41a00ebf9475a8beeebfb1f90c0ff
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])[NH:24][C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])=[O:32].[CH2:33]([CH:34]([NH:35][C:36](=[O:37])[CH:38]([CH2:39][C:40]([OH:41])=[O:42])[n:50]1[cH:51][c:52](-[c:55]2[cH:56][cH:57][c:58](-[c:61]3[cH:62][cH:63][c:64]([C:67]([NH2:68])=[O:69])[cH:65][cH:66]3)[cH:59][cH:60]2)[cH:53][cH:54]1)[CH2:43][OH:44])[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:70]1.[Cl:71][CH2:72][CH2:73][Cl:74]>>[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:50]1[cH:51][c:52](-[c:55]2[cH:56][cH:57][c:58](-[c:61]3[cH:62][cH:63][c:64]([C:67]([NH2:68])=[O:69])[cH:65][cH:66]3)[cH:59][cH:60]2)[cH:53][cH:54]1)=[O:32]