HRID156864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID76915

3,5-Di-tert-butyl-1,2-benzoquinone

C14H20O2

结构：CC(=O)NC1CC(N)CCC1N1CCC(NC(=O)OCc2ccccc2)C1=O

HCID74943964

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC1CC(=O)CCC1N1CCC(NC(=O)OCc2ccccc2)C1=O

HCID178474348

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-310d0795dde344d3b7a594679c0888ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]1[CH:6]([N:12]2[C:13](=[O:28])[CH:14]([NH:17][C:18]([O:19][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)=[O:27])[CH2:15][CH2:16]2)[CH2:7][CH2:8][CH:9]([NH2:11])[CH2:10]1.[C:29]([C:30]1=[CH:40][C:35]([C:36]([CH3:37])([CH3:38])[CH3:39])=[CH:34][C:33](=[O:43])[C:31]1=[O:32])([CH3:41])([CH3:42])[CH3:44].[CH3:45][OH:46].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52]>>[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]1[CH:6]([N:12]2[C:13](=[O:28])[CH:14]([NH:17][C:18]([O:19][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)=[O:27])[CH2:15][CH2:16]2)[CH2:7][CH2:8][C:9](=[O:43])[CH2:10]1