HRID109013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID312

Chloride

Cl-

HCID7809

p-Xylene

C8H10

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID67883

4-Fluorostyrene

C8H7F

HCID105144

Palladium(2+)

Pd+2

HCID145600

3,5-Difluorobenzoyl chloride

C7H3ClF2O

结构：CC(C)c1cccc(C(C)C)c1N1CC[NH+](c2c(C(C)C)cccc2C(C)C)C1

HCID20732211

未命名化合物

PRODUCTS

生成物

HCID68739933

1,3-Difluoro-5-[2-(4-fluorophenyl)ethenyl]benzene

C14H9F3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-710f63ece0fe46e393b44bfc9aaca4bf
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

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