HRID1207633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID284342

2-(methylsulfonyl)benzoic acid

C8H8O4S

结构：CCNCC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F

HCID59187223

未命名化合物

PRODUCTS

生成物

结构：CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1ccccc1S(C)(=O)=O

HCID44593549

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e400c6e7ef034f10a6232619c6a30457
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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