HRID213321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6115

Aniline

C6H7N

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate Ion

CO3-2

HCID20550

Pyrimidine, 2-chloro-4,6-dimethyl-

C6H7ClN2

HCID24290

未命名化合物

HCID61668

Boronic acid

H3BO2

PRODUCTS

产物

HCID57618500

3-(4,6-Dimethylpyrimidin-2-yl)aniline

C12H13N3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3269608181e54b758d2791decaac3ba4
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

[BH:10]([OH:11])[OH:12].[C:20](=[O:21])([O-:22])[O-:23].[CH3:67][C:68]#[N:69].[Cl:1][c:2]1[n:3][c:4]([CH3:9])[cH:5][c:6]([CH3:8])[n:7]1.[NH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[Na+:24].[Na+:25].[OH2:70].[Pd:26]([Cl:27])[Cl:28].[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1.[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[c:2]1(-[c:18]2[cH:17][cH:16][cH:15][c:14]([NH2:13])[cH:19]2)[n:3][c:4]([CH3:9])[cH:5][c:6]([CH3:8])[n:7]1