HRID99861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7914

Isopropyl ether

C6H14O

HCID7953

2,4,6-Trimethylpyridine

C8H11N

HCID2736506

1-(2-Chloroethanesulfonyl)-3-(trifluoromethyl)benzene

C9H8ClF3O2S

HCID11368884

3-(4-Chlorophenyl)-4,5-dihydro-4-phenyl-1H-pyrazole

C15H13ClN2

PRODUCTS

生成物

结构：O=S(=O)(CCN1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1cccc(C(F)(F)F)c1

HCID11684630

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f0013bbe64e4129a87578a9bae97695
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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