HRID1152312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID12176

Glycine ethyl ester

C4H9NO2

结构：O=C(O)CCS(=O)(=O)Nc1ccc(F)cc1C(F)(F)F

HCID10403399

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CNC(=O)CCS(=O)(=O)Nc1ccc(F)cc1C(F)(F)F

HCID54516207

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6672804f2954751afdce455fceef082
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:22]([CH3:23])[O:24][C:25]([CH2:26][NH2:27])=[O:28].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH:46]1([N:47]=[C:48]=[N:49][CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1.[ClH:21].[F:1][c:2]1[cH:3][c:4]([C:17]([F:18])([F:19])[F:20])[c:5]([NH:8][S:9](=[O:10])(=[O:11])[CH2:12][CH2:13][C:14](=[O:15])[OH:16])[cH:6][cH:7]1.[OH2:61].[OH:29][c:30]1[c:31]2[n:32][n:33][nH:34][c:35]2[cH:36][cH:37][cH:38]1>>[F:1][c:2]1[cH:3][c:4]([C:17]([F:18])([F:19])[F:20])[c:5]([NH:8][S:9](=[O:10])(=[O:11])[CH2:12][CH2:13][C:14](=[O:16])[NH:27][CH2:26][C:25]([O:24][CH2:22][CH3:23])=[O:28])[cH:6][cH:7]1