HRID1568341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2734364

4-(Methylsulfonyl)phenylboronic acid

C7H9BO4S

结构：CC(C)c1noc(N2CCC(COc3ccc(Br)nc3)CC2)n1

HCID86638738

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：CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1

HCID24996872

5-(((1-(3-(1-Methylethyl)-1,2,4-oxadiazol-5-yl)-4-piperidinyl)methyl)oxy)-2-(4-(methylsulfonyl)phenyl)pyridine

C23H28N4O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07523a0b78534b15bdc8d1348040215d
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

[Br:1][c:2]1[n:3][cH:4][c:5]([O:8][CH2:9][CH:10]2[CH2:11][CH2:12][N:13]([c:16]3[n:17][c:18]([CH:21]([CH3:22])[CH3:23])[n:19][o:20]3)[CH2:14][CH2:15]2)[cH:6][cH:7]1.[C:37](=[O:38])([O-:39])[O-:40].[CH3:120][O:121][CH2:122][CH2:123][O:124][CH3:125].[CH3:24][S:25](=[O:26])(=[O:27])[c:28]1[cH:29][cH:30][c:31]([B:34]([OH:35])[OH:36])[cH:32][cH:33]1.[Na+:41].[Na+: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:31]2[cH:30][cH:29][c:28]([S:25]([CH3:24])(=[O:26])=[O:27])[cH:33][cH:32]2)[n:3][cH:4][c:5]([O:8][CH2:9][CH:10]2[CH2:11][CH2:12][N:13]([c:16]3[n:17][c:18]([CH:21]([CH3:22])[CH3:23])[n:19][o:20]3)[CH2:14][CH2:15]2)[cH:6][cH:7]1