HRID1551426

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

HCID419227

未命名化合物

结构：O=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1

HCID3699990

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC(NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1)C(=O)OC

HCID54299813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffe68543b7f9410b915b2d15815bb3c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:26][O:27][C:28]([CH:29]([NH2:30])[CH2:31][C:32](=[O:33])[O:34][CH3:35])=[O:36].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH:54]1([N:55]=[C:56]=[N:57][CH:58]2[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]2)[CH2:64][CH2:65][CH2:66][CH2:67][CH2:68]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[cH:13][cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20]2)[cH:6][cH:7]1.[OH2:69].[OH:37][c:38]1[c:39]2[n:40][n:41][nH:42][c:43]2[cH:44][cH:45][cH:46]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[cH:13][cH:14][c:15]([C:16](=[O:17])[NH:30][CH:29]([C:28]([O:27][CH3:26])=[O:36])[CH2:31][C:32](=[O:33])[O:34][CH3:35])[cH:19][cH:20]2)[cH:6][cH:7]1