HRID283155

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

HCID11368883

3,5-DIACETOXYBENZOYL CHLORIDE

C11H9ClO5

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

结构：CC(=O)Oc1cc(C=Cc2ccc(F)cc2)cc(OC(C)=O)c1

HCID68740790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8be211dd10642fe94cf4f8ce7d6a4f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:31]([CH3:32])(=[O:33])[O:34][c:35]1[cH:36][c:37]([C:38]([Cl:39])=[O:40])[cH:41][c:42]([O:44][C:45]([CH3:46])=[O:47])[cH:43]1.[CH3:57][N:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[CH3:73][CH2:74][O:75][C:76]([CH3:77])=[O:78].[CH3:79][c:80]1[cH:81][cH:82][c:83]([CH3:84])[cH:85][cH:86]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:48][c:49]1[cH:50][cH:51][c:52]([CH:53]=[CH2:54])[cH:55][cH:56]1.[O-:65][C:66]([CH3:67])=[O:68].[O-:69][C:70]([CH3:71])=[O:72].[Pd+2:64]>>[C:31]([CH3:32])(=[O:33])[O:34][c:35]1[cH:36][c:37]([CH:38]=[CH:53][c:52]2[cH:51][cH:50][c:49]([F:48])[cH:56][cH:55]2)[cH:41][c:42]([O:44][C:45]([CH3:46])=[O:47])[cH:43]1