HRID831712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

HCID54330025

未命名化合物

结构：CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)P(=O)(O)O

HCID54345348

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCCNC(=O)OC(C)(C)C)OP(=O)(O)C(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C

HCID57051235

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be234aee1e274241bf4054c3657ad7d8
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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