HRID150669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID85753

1-(4-Aminophenyl)ethan-1-ol

C8H11NO

结构：CN(c1ncccc1CNc1nc(Cl)ncc1C(F)(F)F)S(C)(=O)=O

HCID57584561

未命名化合物

PRODUCTS

生成物

结构：CC(O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccnc3N(C)S(C)(=O)=O)n2)cc1

HCID25117123

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc57faaa770640688045ee98e40677fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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