HRID952398

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID62325

2-Methylpropanoyl chloride

C4H7ClO

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

HCID77270322

未命名化合物

HCID77270774

未命名化合物

PRODUCTS

生成物

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

HCID178454452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-004c400bb3fe4dde80e7af1789fac9ce
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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