HRID1127049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14098

p-Vinylbenzoic acid

C9H8O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

结构：Cc1cc(C(O)(C(C)c2ccc(Br)cc2Cl)C(F)(F)F)ccn1

HCID57421291

α-[1-(4-Bromo-2-chlorophenyl)ethyl]-2-methyl-α-(trifluoromethyl)-4-pyridinemethanol

C16H14BrClF3NO

PRODUCTS

生成物

结构：Cc1cc(C(O)(C(C)c2ccc(C=Cc3ccc(C(=O)O)cc3)cc2Cl)C(F)(F)F)ccn1

HCID66782378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-feadba17f6b9455cbb9a1622bcb374c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:41][c:42]1[cH:43][c:44]([Cl:63])[c:45]([CH:48]([C:49]([C:50]([F:51])([F:52])[F:53])([OH:54])[c:55]2[cH:56][c:57]([CH3:61])[n:58][cH:59][cH:60]2)[CH3:62])[cH:46][cH:47]1.[C:69]([O-:70])(=[O:71])[CH3:72].[C:74]([O-:75])(=[O:76])[CH3:77].[CH2:1]([N:2]([CH2:3][CH3:4])[CH2:5][CH3:6])[CH3:7].[CH:8](=[CH2:9])[c:10]1[cH:11][cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH2:78].[Pd+2:73].[c:19]1([CH3:20])[cH:21][cH:22][cH:23][cH:24][c:25]1[P:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][c:32]1[CH3:33])[c:34]1[cH:35][cH:36][cH:37][cH:38][c:39]1[CH3:40]>>[CH:8](=[CH:9][c:42]1[cH:43][c:44]([Cl:63])[c:45]([CH:48]([C:49]([C:50]([F:51])([F:52])[F:53])([OH:54])[c:55]2[cH:56][c:57]([CH3:61])[n:58][cH:59][cH:60]2)[CH3:62])[cH:46][cH:47]1)[c:10]1[cH:11][cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18]1