HRID1540445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID2733950

3-Tolylboronic acid

C7H9BO2

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

HCID86654521

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C(=CC(C)C)c2cc3cccnc3n2S(=O)(=O)c2ccccc2)c1

HCID67227734

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cce6ca7464c45228eee1c7fabd02494
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[Pd:63]([Cl:64])[Cl:65].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[c:11]([C:19](=[CH:20][CH:21]([CH3:22])[CH3:23])[O:24][S:25]([c:26]3[cH:27][cH:28][c:29]([CH3:30])[cH:31][cH:32]3)(=[O:33])=[O:34])[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:35]1([CH3:44])[cH:36][c:37]([B:41]([OH:42])[OH:43])[cH:38][cH:39][cH:40]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:19](=[CH:20][CH:21]([CH3:22])[CH3:23])[c:37]3[cH:36][c:35]([CH3:44])[cH:40][cH:39][cH:38]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