HRID830114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2734314

4-Benzyloxyphenylboronic acid

C13H13BO3

HCID10955588

2,5-dibromopyrimidine

C4H2Br2N2

PRODUCTS

生成物

HCID564028

5-Bromo-2-[4-(phenylmethoxy)phenyl]pyrimidine

C17H13BrN2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b282ba219c56477da7aca4cc8f07128e
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[n:3][cH:4][c:5]([Br:8])[cH:6][n:7]1.[CH3:32][CH2:33][OH:34].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:51][C:52]#[N:53].[Na+:26].[Na+:27].[O-:28][C:29](=[O:30])[O-:31].[O-:43][C:44]([CH3:45])=[O:46].[O-:47][C:48]([CH3:49])=[O:50].[OH2:54].[Pd+2:42].[c:9]1([CH2:15][O:16][c:17]2[cH:18][cH:19][c:20]([B:23]([OH:24])[OH:25])[cH:21][cH:22]2)[cH:10][cH:11][cH:12][cH:13][cH:14]1>>[c:2]1(-[c:20]2[cH:19][cH:18][c:17]([O:16][CH2:15][c:9]3[cH:10][cH:11][cH:12][cH:13][cH:14]3)[cH:22][cH:21]2)[n:3][cH:4][c:5]([Br:8])[cH:6][n:7]1