HRID153228

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)c1ccccc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1

HCID19764005

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CNC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1

HCID15676569

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d89195a6744f4eb08e7e9e3db36efc37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:26]([CH3:27])[O:28][C:29]([CH2:30][NH2:31])=[O:32].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH:50]1([N:51]=[C:52]=[N:53][CH:54]2[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]2)[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1.[ClH:25].[F:1][c:2]1[c:3]([C:21]([F:22])([F:23])[F:24])[cH:4][c:5]([NH:8][S:9](=[O:10])(=[O:11])[c:12]2[c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18][cH:19][cH:20]2)[cH:6][cH:7]1.[OH2:65].[OH:33][c:34]1[c:35]2[n:36][n:37][nH:38][c:39]2[cH:40][cH:41][cH:42]1>>[F:1][c:2]1[c:3]([C:21]([F:22])([F:23])[F:24])[cH:4][c:5]([NH:8][S:9](=[O:10])(=[O:11])[c:12]2[c:13]([C:14](=[O:15])[NH:31][CH2:30][C:29]([O:28][CH2:26][CH3:27])=[O:32])[cH:17][cH:18][cH:19][cH:20]2)[cH:6][cH:7]1