HRID2162044

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

HCID2733960

Thiophene-2-boronic acid

C4H5BO2S

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(-c2cccs2)c(F)c1

HCID69196083

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0441836d4c384340a41dfbca7e4b023c
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

[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].[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[K+:42].[OH2:49].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1.[s:29]1[c:30]([B:34]([OH:35])[OH:36])[cH:31][cH:32][cH:33]1>>[c:2]1(-[c:30]2[s: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