HRID1558061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6395

Methanesulfonic acid

CH4O3S

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID2773912

2-Chloro-4-(trifluoromethyl)pyrimidine

C5H2ClF3N2

HCID59770039

3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine

C12H17BFNO2

PRODUCTS

生成物

结构：CC1(C)OB(c2cc(F)cc(Nc3nccc(C(F)(F)F)n3)c2)OC1(C)C

HCID58456086

N-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine

C17H18BF4N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47903f0be9a24442b45ba5d234201815
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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