HRID1120921

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID19660

Carbonate

CO3-2

HCID25801

2-Chloro-4-(methylsulfonyl)aniline

C7H8ClNO2S

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID136292

2-Bromo-4-fluoroanisole

C7H6BrFO

结构：CCCc1cc(CCC)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(CCC)c1

HCID21081571

未命名化合物

PRODUCTS

生成物

HCID66995723

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bd90244319b442db028b56e6a6e7b6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[c:3]([O:9][CH3:10])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[C:23](=[O:24])([O-:25])[O-:26].[C:69]([O-:70])(=[O:71])[CH3:72].[C:74]([O-:75])(=[O:76])[CH3:77].[CH:29]1([P:30]([CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2-[c:43]2[c:44]([CH2:45][CH2:46][CH3:47])[cH:48][c:49]([CH2:50][CH2:51][CH3:52])[cH:53][c:54]2[CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]1.[Cl:11][c:12]1[c:13]([NH2:14])[cH:15][cH:16][c:17]([S:19](=[O:20])(=[O:21])[CH3:22])[cH:18]1.[Cs+:27].[Cs+:28].[O:63]1[CH2:64][CH2:65][O:66][CH2:67][CH2:68]1.[Pd+2:73]>>[c:2]1([NH:14][c:13]2[c:12]([Cl:11])[cH:18][c:17]([S:19](=[O:20])(=[O:21])[CH3:22])[cH:16][cH:15]2)[c:3]([O:9][CH3:10])[cH:4][cH:5][c:6]([F:8])[cH:7]1