HRID677679

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)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1C(F)(F)F

HCID19763999

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCNC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1C(F)(F)F

HCID53833050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3168193be294942a26061e553cbe28f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:26]([CH3:27])[O:28][C:29]([CH2:30][CH2:31][NH2:32])=[O:33].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH:51]1([N:52]=[C:53]=[N:54][CH:55]2[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]2)[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]1.[ClH:25].[F:1][c:2]1[cH:3][c:4]([C:21]([F:22])([F:23])[F:24])[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.[OH2:66].[OH:34][c:35]1[c:36]2[n:37][n:38][nH:39][c:40]2[cH:41][cH:42][cH:43]1>>[F:1][c:2]1[cH:3][c:4]([C:21]([F:22])([F:23])[F:24])[c:5]([NH:8][S:9](=[O:10])(=[O:11])[c:12]2[c:13]([C:14](=[O:15])[NH:32][CH2:31][CH2:30][C:29]([O:28][CH2:26][CH3:27])=[O:33])[cH:17][cH:18][cH:19][cH:20]2)[cH:6][cH:7]1