HRID213682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID333462

未命名化合物

结构：CC(C)OC(=O)CCC(NC(=O)OC(C)(C)C)C(N)=O

HCID178459556

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)CCC(NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O

HCID178459554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c0e6180d05743d68351c5601a7946f4
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]([O:2][C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH2:11][C:12](=[O:13])[O:14][CH:15]([CH3:16])[CH3:17])[C:18]([NH2:19])=[O:20])([CH3:3])([CH3:4])[CH3:5].[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33](=[O:34])[NH:35][CH:36]([CH2:37][O:38][CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[C:46]([OH:47])=[O:48].[OH:21][C:22]([C:23]([F:24])([F:25])[F:26])=[O:27]>>[C:6](=[O:7])([NH:8][CH:9]([CH2:10][CH2:11][C:12](=[O:13])[O:14][CH:15]([CH3:16])[CH3:17])[C:18]([NH2:19])=[O:20])[CH:36]([NH:35][C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[CH2:37][O:38][CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1