HRID204329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID4198739

2,4-Dimethylphenylboronic acid

C8H11BO2

结构：CN(Cc1cc(Br)n(S(=O)(=O)c2cccnc2)c1)C(=O)OC(C)(C)C

HCID57522258

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2cc(CN(C)C(=O)OC(C)(C)C)cn2S(=O)(=O)c2cccnc2)c(C)c1

HCID66974509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3ec1a435b32475d9fadc223c94f8795
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH2:16][N:17]([C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH3:25])[cH:5][n:6]1[S:7](=[O:8])(=[O:9])[c:10]1[cH:11][n:12][cH:13][cH:14][cH:15]1.[CH3:26][c:27]1[c:28]([B:34]([OH:35])[OH:36])[cH:29][cH:30][c:31]([CH3:33])[cH:32]1.[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([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)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[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)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[c:2]1(-[c:28]2[c:27]([CH3:26])[cH:32][c:31]([CH3:33])[cH:30][cH:29]2)[cH:3][c:4]([CH2:16][N:17]([C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH3:25])[cH:5][n:6]1[S:7](=[O:8])(=[O:9])[c:10]1[cH:11][n:12][cH:13][cH:14][cH:15]1