HRID92923

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7972

4-Methylmorpholine

C5H11NO

HCID3780918

未命名化合物

结构：CC(C)(C)OC(=O)NC(C(=O)OCc1ccccc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

HCID17999119

Benzyl [(tert-butoxycarbonyl)amino]{4-[(trifluoromethanesulfonyl)oxy]phenyl}acetate

C21H22F3NO7S

PRODUCTS

生成物

结构：CCOP(=O)(OCC)c1ccc(C(NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)cc1

HCID86603382

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c0d313e5df5440db50801413256f2f8
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

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