HRID1228822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID24386

Thionyl chloride

Cl2OS

HCID31374

Dimethylacetamide

C4H9NO

HCID74369

Benzenesulfonamide, 4-amino-N,N-dimethyl-

C8H12N2O2S

HCID75567

4-Pyrrolidinopyridine

C9H12N2

HCID81531

Diisopropylethylamine

C8H19N

HCID2775125

3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid

C4H5F3O3

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)cc1

HCID9862760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4d47880d5744624bcf74a73ae25e14c
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

[CH3:35][N:36]([CH3:37])[S:38](=[O:39])(=[O:40])[c:41]1[cH:42][cH:43][c:44]([NH2:45])[cH:46][cH:47]1.[CH3:48][N:49]([CH3:50])[C:51](=[O:52])[CH3:53].[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[F:1][C:2]([C:3]([C:4](=[O:5])[OH:6])([OH:7])[CH3:8])([F:9])[F:10].[N:15]1([c:16]2[cH:17][cH:18][n:19][cH:20][cH:21]2)[CH2:22][CH2:23][CH2:24][CH2:25]1.[OH2:54].[S:11]([Cl:12])([Cl:13])=[O:14]>>[F:1][C:2]([C:3]([C:4](=[O:5])[NH:45][c:44]1[cH:43][cH:42][c:41]([S:38]([N:36]([CH3:35])[CH3:37])(=[O:39])=[O:40])[cH:47][cH:46]1)([OH:7])[CH3:8])([F:9])[F:10]