HRID700329

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

HCID1140

Toluene

C7H8

2 次

HCID7628

Boric acid (H3BO3)

H3BO3

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID57443400

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

C6H6ClIN2

PRODUCTS

生成物

HCID57710443

6-Chloro-N-methyl-4-(2-methylphenyl)pyridin-3-amine

C13H13ClN2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fffe382a90c24dd7ab61be3311753889
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

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