HRID1223954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID21631

1,3-Isobenzofurandione, 4-nitro-

C8H3NO5

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)c2cccc([N+](=O)[O-])c2C1=O)OC

HCID54472480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-281980116cea4836b3a895de85a206b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([OH:2])(=[O:3])[CH3:4].[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].[N+:29](=[O:30])([O-:31])[c:32]1[c:33]2[c:34]([cH:40][cH:41][cH:42]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][N:28]1[C:35](=[O:36])[c:34]2[c:33]([c:32]([N+:29](=[O:30])[O-:31])[cH:42][cH:41][cH:40]2)[C:38]1=[O:37]