HRID2137604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl Acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID13150416

3-Bromo-4-(trifluoromethoxy)benzaldehyde

C8H4BrF3O2

HCID69521676

5-Benzofurancarboxamide, 7-bromo-2,3-dihydro-N,N,3,3-tetramethyl-

C13H16BrNO2

PRODUCTS

产物

HCID86588865

7-[5-Formyl-2-trifluoromethoxy-phenyl]-3,3-dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid dimethylamide

C21H20F3NO4

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-546755aec52947a1b8ed873cb06eee17
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[Br:50][c:51]1[cH:52][c:53]([CH:54]=[O:55])[cH:56][cH:57][c:58]1[O:59][C:60]([F:61])([F:62])[F:63].[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][c:7]([Br:16])[c:8]2[c:9]([cH:15]1)[C:10]([CH3:13])([CH3:14])[CH2:11][O:12]2)[CH3:17].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[CH:25]1([P:26]([CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2-[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[O-:77][C:78]([CH3:79])=[O:80].[O-:81][C:82]([CH3:83])=[O:84].[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1.[OH2:85].[Pd+2:76]>>[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][c:7](-[c:51]2[cH:52][c:53]([CH:54]=[O:55])[cH:56][cH:57][c:58]2[O:59][C:60]([F:61])([F:62])[F:63])[c:8]2[c:9]([cH:15]1)[C:10]([CH3:13])([CH3:14])[CH2:11][O:12]2)[CH3:17]