HRID97694

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID105144

Palladium(2+)

Pd+2

HCID138986

1,3-Benzodioxole, 5-ethenyl-

C9H8O2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

结构：O=[N+]([O-])c1cc2c(I)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

HCID68930344

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1cc2c(C=Cc3ccc4c(c3)OCO4)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

HCID68930527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d19b029774546f8a13fcc3cf96712a8
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

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