HRID118355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID2737357

2-Fluoro-6-methoxybenzaldehyde

C8H7FO2

结构：COCN(c1cc(Cl)cnc1Br)S(=O)(=O)c1cccc(C(F)(F)F)c1

HCID57942206

N-(2-Bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

C14H11BrClF3N2O3S

HCID178461726

未命名化合物

PRODUCTS

生成物

结构：COCN(c1cc(Cl)cnc1C(O)c1c(F)cccc1OC)S(=O)(=O)c1cccc(C(F)(F)F)c1

HCID57942520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9acfccef180947fbbcafaa8da1527155
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

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