HRID150356

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID2736335

2-Bromo-6-fluorotoluene

C7H6BrF

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

结构：COC(=O)c1ccc(C)c(C(=O)c2ccc(N)cc2Cl)c1

HCID67313685

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C)c(C(=O)c2ccc(Nc3cccc(F)c3C)cc2Cl)c1

HCID67314201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f139fd094b0a42079743619f92297928
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:9])[c:4]([F:8])[cH:5][cH:6][cH:7]1.[C:65](=[O:66])([O-:67])[O-:68].[CH2:71]1[O:72][CH2:73][CH2:74][O:75][CH2:76]1.[CH3:10][O:11][C:12]([c:13]1[cH:14][c:15]([C:20]([c:21]2[c:22]([Cl:28])[cH:23][c:24]([NH2:27])[cH:25][cH:26]2)=[O:29])[c:16]([CH3:19])[cH:17][cH:18]1)=[O:30].[CH:31]1([P:32]([CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2-[c:45]2[c:46]([CH:47]([CH3:48])[CH3:49])[cH:50][c:51]([CH:52]([CH3:53])[CH3:54])[cH:55][c:56]2[CH:57]([CH3:58])[CH3:59])[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1.[Cs+:69].[Cs+:70].[O-:78][C:79]([CH3:80])=[O:81].[O-:82][C:83]([CH3:84])=[O:85].[Pd+2:77]>>[c:2]1([NH:27][c:24]2[cH:23][c:22]([Cl:28])[c:21]([C:20]([c:15]3[cH:14][c:13]([C:12]([O:11][CH3:10])=[O:30])[cH:18][cH:17][c:16]3[CH3:19])=[O:29])[cH:26][cH:25]2)[c:3]([CH3:9])[c:4]([F:8])[cH:5][cH:6][cH:7]1