HRID699774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CC(C)CC(NC(=O)CNc1cccc2ccccc12)C(=O)NC(C=O)CC(=NNC(N)=O)OC(C)(C)C

HCID178446610

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(NC(=O)CNc1cccc2ccccc12)C(=O)NC(C=O)CC(O)=NNC(N)=O

HCID178446611

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a9931ebbf32461aaa1021509e8a0fac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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