HRID1208655

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID105144

Palladium(2+)

Pd+2

HCID14387744

5-Bromo-2-methylpyrimidine

C5H5BrN2

结构：COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(-c2ccc(C)cn2)c1

HCID59432564

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(-c2cnc(C)nc2)cc(-c2ccc(C)cn2)c1

HCID68496541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2df7fccf483f4a6caf28e04f162d9ea7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:27][c:28]1[cH:29][n:30][c:31]([CH3:34])[n:32][cH:33]1.[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][c:16]([B:18]3[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]3)[cH:17]2)[n:6][cH:7]1.[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH:35]([NH:36][CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[O-:49][C:50]([CH3:51])=[O:52].[O-:53][C:54]([CH3:55])=[O:56].[OH2:47].[Pd+2:48]>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][c:16](-[c:28]3[cH:29][n:30][c:31]([CH3:34])[n:32][cH:33]3)[cH:17]2)[n:6][cH:7]1