HRID89521

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

结构：COC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C

HCID4459028

Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinate

C15H21NO5

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)OC(C)(C)C

HCID14560583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b898aef22c5c43d7835177e7b8059adc
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:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[NH:23][CH:24]([C:25](=[O:26])[O:27][CH3:28])[CH2:29][c:30]1[cH:31][cH:32][c:33]([OH:36])[cH:34][cH:35]1.[CH2:49]([Cl:50])[Cl:51].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[F:1][C:2]([F:3])([F:4])[S:5](=[O:6])(=[O:7])[O:8][S:9]([C:10]([F:11])([F:12])[F:13])(=[O:14])=[O:15].[Na+:48].[O-:44][C:45]([OH:46])=[O:47]>>[F:1][C:2]([F:3])([F:4])[S:5](=[O:6])(=[O:7])[O:8][c:33]1[cH:32][cH:31][c:30]([CH2:29][CH:24]([NH:23][C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])[C:25](=[O:26])[O:27][CH3:28])[cH:35][cH:34]1