HRID100382

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

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-99fb472ffbca4e46bc3c59c862d8c382
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[n:3][cH:4][c:5]([Br:8])[cH:6][n:7]1.[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:60][CH2:61][OH:62].[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[OH2:59].[Pd:58].[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1.[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