HRID207731

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID11928

Quinoline, 2-chloro-

C9H6ClN

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID15887404

未命名化合物

PRODUCTS

生成物

HCID612824

2-(2-Methylphenyl)quinoline

C16H13N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28ac5dbf78fc44b0b1e0c0b7a3cb3cdf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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