HRID1222187

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

HCID2734373

4-Methylthiophene-2-boronic acid

C5H7BO2S

HCID4574913

未命名化合物

结构：COc1ccc(N2CC(C)NC(C)C2)cc1NS(=O)(=O)c1ccc(Br)cc1C

HCID69196851

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(-c2cc(C)cs2)cc1C

HCID69197763

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-044c4742bac24c48af3359abd8f5f3e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH3:28])[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.[CH3:29][c:30]1[cH:31][c:32]([B:35]([OH:36])[OH:37])[s:33][cH:34]1.[CH3:38][C:39]([CH3:40])([O-:41])[CH3:42].[CH3:44][O:45][CH2:46][CH2:47][O:48][CH3:49].[K+:43].[OH2:50].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[c:2]1(-[c:32]2[cH:31][c:30]([CH3:29])[cH:34][s:33]2)[cH:3][c:4]([CH3:28])[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