HRID2161549

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

HCID2734364

4-(Methylsulfonyl)phenylboronic acid

C7H9BO4S

结构：Cc1ccc(S(=O)(=O)OC(=CC2CCCC2)c2cc3cc(F)cnc3n2S(=O)(=O)c2ccccc2)cc1

HCID86654507

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(=CC2CCCC2)c2cc3cc(F)cnc3n2S(=O)(=O)c2ccccc2)cc1

HCID67229305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-483b083e84e3404da36e259a97ca4994
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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