HRID119009

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID291193

3-methoxyphthalic anhydride

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)c2cccc(OC)c2C1=O)OC

HCID178485687

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f1f217706fa4af7983acf021098fa71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([OH:2])(=[O:3])[CH3:4].[CH3:29][O:30][c:31]1[c:32]2[c:33]([cH:39][cH:40][cH:41]1)[C:34](=[O:35])[O:36][C:37]2=[O:38].[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:34](=[O:35])[c:33]2[c:32]([c:31]([O:30][CH3:29])[cH:41][cH:40][cH:39]2)[C:37]1=[O:36]