HRID290501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID21111787

3-Oxo-3-[2-(trifluoromethyl)anilino]propanoic acid

C10H8F3NO3

结构：CC(C)N(C)C1CCC(N)C(CS(=O)(=O)c2ccccc2)C1

HCID68637341

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C)C1CCC(NC(=O)CC(=O)Nc2ccccc2C(F)(F)F)C(CS(=O)(=O)c2ccccc2)C1

HCID68638279

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b30695a42ae94957965e8a8c6627198d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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