HRID2139967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID139377

Methylboronic acid

CH5BO2

结构：CNS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)cc3c2cnn3-c2ccc(F)cc2)cc1

HCID44469803

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：CNS(=O)(=O)c1ccc(CNC(=O)c2cc(C)cc3c2cnn3-c2ccc(F)cc2)cc1

HCID58138794

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56546d39b77840d4b125ac1c9bb8762e
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

[CH3:1][NH:2][S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9]([CH2:10][NH:11][C:12](=[O:13])[c:14]2[c:15]3[cH:16][n:17][n:18](-[c:24]4[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]4)[c:19]3[cH:20][c:21]([Br:23])[cH:22]2)[cH:31][cH:32]1.[CH3:33][B:34]([OH:35])[OH:36].[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[O:120]=[CH:121][N:122]([CH3:123])[CH3:124].[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>>[CH3:1][NH:2][S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9]([CH2:10][NH:11][C:12](=[O:13])[c:14]2[c:15]3[cH:16][n:17][n:18](-[c:24]4[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]4)[c:19]3[cH:20][c:21]([CH3:33])[cH:22]2)[cH:31][cH:32]1