HRID2311263

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID66856789

未命名化合物

HCID68782458

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Nc1c(F)cc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2N2CCOCC2)cc1C(F)(F)F

HCID72335652

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c745a018e7cc4507a41bf63a7cda04ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[ClH:19].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([F:18])[c:6]([NH:13][S:14](=[O:15])(=[O:16])[CH3:17])[c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1.[O:20]1[CH2:21][CH2:22][N:23]([c:26]2[n:27][c:28]([C:37]([F:38])([F:39])[F:40])[cH:29][cH:30][c:31]2[CH:32]=[CH:33][C:34](=[O:35])[OH:36])[CH2:24][CH2:25]1>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([F:18])[c:6]([NH:13][S:14](=[O:15])(=[O:16])[CH3:17])[c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)[C:34]([CH:33]=[CH:32][c:31]1[c:26]([N:23]2[CH2:22][CH2:21][O:20][CH2:25][CH2:24]2)[n:27][c:28]([C:37]([F:38])([F:39])[F:40])[cH:29][cH:30]1)=[O:35]