HRID2141972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID105144

Palladium(2+)

Pd+2

HCID138872

Ketone, methyl 6-methyl-2-pyridyl

C8H9NO

结构：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H36NP

HCID4574913

未命名化合物

HCID22288654

6-Chloro-4-methoxyquinoline

C10H8ClNO

PRODUCTS

生成物

HCID22288655

2-(4-Methoxyquinolin-6-yl)-1-(6-methylpyridin-2-yl)ethan-1-one

C18H16N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c4f7617de564b72a1c2dfa838e76ce5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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