HRID1543113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID105144

Palladium(2+)

Pd+2

HCID24997839

tert-Butyl 5-bromopyridine-2-carboxylate

C10H12BrNO2

HCID25067323

Methyl 4-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylate

C12H14O4

PRODUCTS

生成物

结构：COC(=O)c1cc(Oc2ccc(C(=O)OC(C)(C)C)nc2)c2c(c1)OC(C)(C)C2

HCID59560353

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-395115e4133b4a83a6d1853ab229ebf9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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