HRID122958

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID3016537

4-Bromo-2-chloroanisole

C7H6BrClO

结构：COC(=O)c1cc2c(c(B3OCC(C)(C)CO3)c1)OC(F)(F)O2

HCID67170313

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc2c(c(-c3ccc(OC)c(Cl)c3)c1)OC(F)(F)O2

HCID67170781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9245bfe7e26c4cebbc788cf034b32bf8
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:24][c:25]1[cH:26][c:27]([Cl:33])[c:28]([O:31][CH3:32])[cH:29][cH:30]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([c:14]([B:16]3[O:17][CH2:18][C:19]([CH3:20])([CH3:21])[CH2:22][O:23]3)[cH:15]1)[O:9][C:10]([F:12])([F:13])[O:11]2.[K+:53].[K+:54].[O-:55][C:56]([O-:57])=[O:58].[O-:65][C:66]([CH3:67])=[O:68].[O-:69][C:70]([CH3:71])=[O:72].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:73].[Pd+2:64].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([c:14](-[c:25]3[cH:26][c:27]([Cl:33])[c:28]([O:31][CH3:32])[cH:29][cH:30]3)[cH:15]1)[O:9][C:10]([F:12])([F:13])[O:11]2