HRID1120727

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID22049664

未命名化合物

反应SMILES：CCc1sc(COc2ccc3c(c2)OCC(C=O)=C3)cc1Br

HCID58438974

未命名化合物

PRODUCTS

产物

反应SMILES：CCc1sc(COc2ccc3c(c2)OCC(C=O)=C3)cc1-c1ccccc1C(F)(F)F

HCID58438736

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4038e45aa81847d3a583f0901a952293
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[Br:1][c:2]1[cH:3][c:4]([CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]3[c:19]([cH:20]2)[O:18][CH2:17][C:16]([CH:21]=[O:22])=[CH:15]3)[s:5][c:6]1[CH2:7][CH3:8].[C:37](=[O:38])([O-:39])[O-:40].[C:70]([O-:71])(=[O:72])[CH3:73].[C:75]([O-:76])(=[O:77])[CH3:78].[Cl-:62].[F:23][C:24]([c:25]1[c:26]([O:31][B:32]([OH:33])[OH:34])[cH:27][cH:28][cH:29][cH:30]1)([F:35])[F:36].[NH4+:63].[Na+:41].[Na+:42].[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1.[Pd+2:74].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[c:2]1(-[c:26]2[c:25]([C:24]([F:23])([F:35])[F:36])[cH:30][cH:29][cH:28][cH:27]2)[cH:3][c:4]([CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]3[c:19]([cH:20]2)[O:18][CH2:17][C:16]([CH:21]=[O:22])=[CH:15]3)[s:5][c:6]1[CH2:7][CH3:8]