HRID2343471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID67883

4-Fluorostyrene

C8H7F

HCID105144

Palladium(2+)

Pd+2

结构：Fc1cc2c(cc1Br)c(I)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID68930723

未命名化合物

PRODUCTS

生成物

结构：Fc1ccc(C=Cc2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3cc(F)c(Br)cc23)cc1

HCID68930061

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f0dd8ae6c484f6287559f3fed279d40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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