HRID1240657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID2779153

4-Bromo-3-fluorophenol

C6H4BrFO

结构：COC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID11219601

Methyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate

C15H21BO4

PRODUCTS

生成物

HCID57992143

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40f2f7f1885a413d82ba281a4a06e682
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

[Br:49][c:50]1[c:51]([F:57])[cH:52][c:53]([OH:56])[cH:54][cH:55]1.[C:64]([O-:65])(=[O:66])[CH3:67].[C:69]([O-:70])(=[O:71])[CH3:72].[CH3:29][C:30]1([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35][B:36]([c:37]2[cH:38][cH:39][c:40]([CH2:43][C:44](=[O:45])[O:46][CH3:47])[cH:41][cH:42]2)[O:48]1.[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[ClH:58].[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28].[Pd+2:68].[c:1]1([CH3:2])[cH:3][cH:4][cH:5][cH:6][c:7]1[P:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]1[CH3:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][c:21]1[CH3:22]>>[c:37]1(-[c:50]2[c:51]([F:57])[cH:52][c:53]([OH:56])[cH:54][cH:55]2)[cH:38][cH:39][c:40]([CH2:43][C:44](=[O:45])[O:46][CH3:47])[cH:41][cH:42]1