HRID281655

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID639748

5-methoxyisobenzofuran-1,3-dione

C9H6O4

结构：CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)CP(=O)(CN)OC

HCID178485695

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)CP(=O)(CN1C(=O)c2ccc(OC)cc2C1=O)OC

HCID178485689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a2bd8d26379420da3fffdf80e37c9b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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