HRID185134

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53985400

未命名化合物

反应SMILES：C=CCOC1CC(C(=O)O)N(C(=O)C(NC(=O)C(Cc2ccc(O)cc2)NC(C)=O)C(C)C)C1

HCID178458553

未命名化合物

PRODUCTS

产物

反应SMILES：C=CCOC1CC(C(=O)NC(C=O)CC(=NNC(N)=O)OC(C)(C)C)N(C(=O)C(NC(=O)C(Cc2ccc(O)cc2)NC(C)=O)C(C)C)C1

HCID178458550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0da32f42431d437580c38e99cb49d155
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

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