HRID302538

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

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID84314

2-Bromo-3-methylthiophene

C5H5BrS

HCID105144

Palladium(2+)

Pd+2

HCID2735950

(2,4-Di-tert-butoxypyrimidin-5-yl)boronic acid

C12H21BN2O4

PRODUCTS

生成物

结构：Cc1ccsc1-c1cnc(OC(C)(C)C)nc1OC(C)(C)C

HCID4458613

2,4-Ditert-butoxy-5-(3-methyl-2-thienyl)pyrimidine

C17H24N2O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4ef17d3f7ad4c62acfe9aef2be59ea7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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