HRID207886

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

HCID419889

Ethyl 3-aminopropanoate

C5H11NO2

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)CCNC(=O)CCS(=O)(=O)Nc1ccc(F)cc1C(F)(F)F

HCID54166989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecf95852ee6c4aa284302007780b50b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:22]([CH3:23])[O:24][C:25]([CH2:26][CH2:27][NH2:28])=[O:29].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH:47]1([N:48]=[C:49]=[N:50][CH:51]2[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]2)[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]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.[OH2:62].[OH:30][c:31]1[c:32]2[n:33][n:34][nH:35][c:36]2[cH:37][cH:38][cH:39]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:28][CH2:27][CH2:26][C:25]([O:24][CH2:22][CH3:23])=[O:29])[cH:6][cH:7]1