HRID118587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

结构：COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1

HCID24824492

Methyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

C14H18BFO4

结构：Cc1ccc(S(=O)(=O)OC(=CC2CCCC2)c2cc3cccnc3n2S(=O)(=O)c2ccccc2)cc1

HCID86654505

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=CC2CCCC2)c2cc3cccnc3n2S(=O)(=O)c2ccccc2)c(F)c1

HCID67229125

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e09e27dd49824aa28789b0f2ca94043f
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

[CH3:37][O:38][C:39]([c:40]1[cH:41][c:42]([F:55])[c:43]([B:46]2[O:47][C:48]([CH3:49])([CH3:50])[C:51]([CH3:52])([CH3:53])[O:54]2)[cH:44][cH:45]1)=[O:56].[Na+:57].[Na+:58].[O-:59][C:60](=[O:61])[O-:62].[O:63]1[CH2:64][CH2:65][O:66][CH2:67][CH2:68]1.[Pd:69]([Cl:70])[Cl:71].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[c:11]([C:19](=[CH:20][CH:21]3[CH2:22][CH2:23][CH2:24][CH2:25]3)[O:26][S:27]([c:28]3[cH:29][cH:30][c:31]([CH3:32])[cH:33][cH:34]3)(=[O:35])=[O:36])[cH:12][c:13]3[c:14]2[n:15][cH:16][cH:17][cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1.[c:91]1([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106][cH:107][cH:108][cH:109]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[c:11]([C:19](=[CH:20][CH:21]3[CH2:22][CH2:23][CH2:24][CH2:25]3)[c:43]3[c:42]([F:55])[cH:41][c:40]([C:39]([O:38][CH3:37])=[O:56])[cH:45][cH:44]3)[cH:12][c:13]3[c:14]2[n:15][cH:16][cH:17][cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1