HRID197125

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

HCID75821

4-Ethenylphenyl acetate

C10H10O2

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

HCID68742160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77cc03374be54c21b11d97d14d115391
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:42]([CH3:43])(=[O:44])[O:45][c:46]1[cH:47][cH:48][c:49]([CH:50]=[CH2:51])[cH:52][cH:53]1.[CH3:54][N:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1.[CH3:70][CH2:71][O:72][C:73]([CH3:74])=[O:75].[CH3:76][c:77]1[cH:78][cH:79][c:80]([CH3:81])[cH:82][cH:83]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.[O-:62][C:63]([CH3:64])=[O:65].[O-:66][C:67]([CH3:68])=[O:69].[Pd+2:61]>>[F:31][c:32]1[cH:33][c:34]([CH:35]=[CH:50][c:49]2[cH:48][cH:47][c:46]([O:45][C:42]([CH3:43])=[O:44])[cH:53][cH:52]2)[cH:38][c:39]([F:41])[cH:40]1