HRID1239589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

结构：CC(NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCCC1C(=O)NC1CC(=O)OC1OCc1ccccc1

HCID22977499

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)c1ccc(NC(=O)C(C)(C)C)c(Cl)c1)C(=O)N1CCCC1C(=O)NC1CC(=O)OC1OCc1ccccc1

HCID22977767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8aec8c6c05894738b95eb268bb73a7c6
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

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