HRID674736

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

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2734322

2-Chlorophenylboronic acid

C6H6BClO2

HCID57443400

6-Chloro-4-iodo-N-methylpyridin-3-amine

C6H6ClIN2

PRODUCTS

生成物

HCID23502811

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91db8c9d16964668bf61e3e7a3a32246
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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