HRID948374

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24386

Thionyl chloride

Cl2OS

HCID12524618

未命名化合物

结构：COC(=O)C(O)c1cccc(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1

HCID178501772

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(OP(=O)(O)C(NC(=O)OCc1ccccc1)C(C)C)c1cccc(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1

HCID178501874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18d0d9ea490b47a7899ea5bf69f3c1d5
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH:13]([CH3:14])[CH3:15])[P:16]([OH:17])([OH:18])=[O:19].[CH3:24][O:25][C:26]([CH:27]([OH:28])[c:29]1[cH:30][c:31]([NH:35][C:36](=[N:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[NH:45][C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[cH:32][cH:33][cH:34]1)=[O:53].[Na+:58].[O-:54][C:55]([OH:56])=[O:57].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[S:20]([Cl:21])([Cl:22])=[O:23]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH:13]([CH3:14])[CH3:15])[P:16](=[O:17])([OH:18])[O:19][CH:27]([C:26]([O:25][CH3:24])=[O:53])[c:29]1[cH:30][c:31]([NH:35][C:36](=[N:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[NH:45][C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[cH:32][cH:33][cH:34]1