HRID209157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID60984

Methyl bromoacetate

C3H5BrO2

HCID2967981

未命名化合物

结构：CC(C)(C)OC(=O)NC(Cc1ccc(Cl)cc1)C(=O)NN1CC(NC2CCCCC2)C1

HCID77270322

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N(C1CCCCC1)C1CN(NC(=O)C(Cc2ccc(Cl)cc2)NC(=O)OC(C)(C)C)C1

HCID178501963

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75052a9e81194951b76757907c583444
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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