HRID2126015

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

HCID2734370

3-Methoxyphenylboronic acid

C7H9BO3

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：COc1cccc(C(=CC(C)C)c2cc3cccnc3n2S(=O)(=O)c2ccccc2)c1

HCID67229047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a3693e73b0846d184c846cfd05b3fc4
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

[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]1.[CH3:35][O:36][c:37]1[cH:38][c:39]([B:43]([OH:44])[OH:45])[cH:40][cH:41][cH:42]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[Pd:64]([Cl:65])[Cl:66].[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:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1.[c:86]1([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[cH:100][cH:101][cH:102][cH:103][cH:104]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:39]3[cH:38][c:37]([O:36][CH3:35])[cH:42][cH:41][cH:40]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