HRID1146957

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID21531

Triisopropyl orthoborate

C9H21BO3

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NS(C)(=O)=O)c(I)cc12

HCID58052324

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

HCID178456136

未命名化合物

PRODUCTS

生成物

结构：C=C(C)c1cc2c(C(=O)NC)c(-c3ccc(F)cc3)oc2nc1NS(C)(=O)=O

HCID58052333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48d61ad92df84ee79b4e3522d2bf0835
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[B:6]([O:7][CH:8]([CH3:9])[CH3:10])([O:11][CH:12]([CH3:13])[CH3:14])[O:15][CH:16]([CH3:17])[CH3:18].[Br-:1].[CH2:2]=[C:3]([CH3:4])[Mg+:5].[F:25][c:26]1[cH:27][cH:28][c:29](-[c:32]2[c:33]([C:47](=[O:48])[NH:49][CH3:50])[c:34]3[c:35]([n:36][c:37]([NH:41][S:42](=[O:43])(=[O:44])[CH3:45])[c:38]([I:40])[cH:39]3)[o:46]2)[cH:30][cH:31]1.[K+:19].[K+:20].[O-:21][C:22]([O-:23])=[O:24].[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>>[CH2:2]=[C:3]([CH3:4])[c:38]1[c:37]([NH:41][S:42](=[O:43])(=[O:44])[CH3:45])[n:36][c:35]2[c:34]([c:33]([C:47](=[O:48])[NH:49][CH3:50])[c:32](-[c:29]3[cH:28][cH:27][c:26]([F:25])[cH:31][cH:30]3)[o:46]2)[cH:39]1