HRID1557319

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8071

未命名化合物

HCID61668

Boronic acid

H3BO2

HCID2734357

2-Furanboronic acid

C4H5BO3

HCID4574913

未命名化合物

结构：COc1ccc(N2CC(C)NC(C)C2)cc1NS(=O)(=O)c1ccc(Br)c(F)c1

HCID69196620

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：COc1ccc(N2CC(C)NC(C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)c(F)c1

HCID69197006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08081defdf864d53a8419a16220e3ba6
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

[BH:43]([OH:44])[OH:45].[Br:1][c:2]1[c:3]([F:28])[cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[c:13]([O:26][CH3:27])[cH:14][cH:15][c:16]([N:18]3[CH2:19][CH:20]([CH3:25])[NH:21][CH:22]([CH3:24])[CH2:23]3)[cH:17]2)[cH:6][cH:7]1.[CH3:37][C:38]([CH3:39])([O-:40])[CH3:41].[CH3:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[K+:42].[OH2:52].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1.[o:29]1[c:30]([B:34]([OH:35])[OH:36])[cH:31][cH:32][cH:33]1>>[c:2]1(-[c:30]2[o:29][cH:33][cH:32][cH:31]2)[c:3]([F:28])[cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[c:13]([O:26][CH3:27])[cH:14][cH:15][c:16]([N:18]3[CH2:19][CH:20]([CH3:25])[NH:21][CH:22]([CH3:24])[CH2:23]3)[cH:17]2)[cH:6][cH:7]1