HRID210514

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

结构：CCOP(=O)(OCC)C(NC(=O)OCc1ccccc1)C(=O)OC

HCID11068333

Methyl {[(benzyloxy)carbonyl]amino}(diethoxyphosphoryl)acetate

C15H22NO7P

结构：CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)nc1C=O

HCID58670133

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(=Cc1nc(-c2ccccc2)ccc1NC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

HCID72387512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbff82b89dd140a7b6c545eb45a49357
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[O:10][C:11](=[O:12])[NH:13][CH:14]([C:15](=[O:16])[O:17][CH3:18])[P:19]([O:20][CH2:21][CH3:22])([O:23][CH2:24][CH3:25])=[O:26].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH:27](=[O:28])[c:29]1[n:30][c:31](-[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:32][cH:33][c:34]1[NH:35][C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42].[H-:1].[Na+:2]>>[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[O:10][C:11](=[O:12])[NH:13][C:14]([C:15](=[O:16])[O:17][CH3:18])=[CH:27][c:29]1[n:30][c:31](-[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:32][cH:33][c:34]1[NH:35][C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42]