HRID143814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID3776

Isopropanol

C3H8O

HCID19660

Carbonate

CO3-2

结构：Cc1c(F)cc(C(=O)NC2CC2)cc1B1OC(C)(C)C(C)(C)O1

HCID21914563

未命名化合物

结构：C[Si](C)(C)CCOCn1nc(S(C)(=O)=O)c2ccc(Br)cc21

HCID58656453

6-Bromo-3-(methylsulfonyl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazole

C14H21BrN2O3SSi

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：Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(S(C)(=O)=O)nn(COCC[Si](C)(C)C)c2c1

HCID58656469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49defb86257047afb405e7d973049e99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([S:19](=[O:20])(=[O:21])[CH3:22])[n:7][n:8]([CH2:11][O:12][CH2:13][CH2:14][Si:15]([CH3:16])([CH3:17])[CH3:18])[c:9]2[cH:10]1.[CH:23]1([NH:26][C:27]([c:28]2[cH:29][c:30]([F:44])[c:31]([CH3:43])[c:32]([B:34]3[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]3)[cH:33]2)=[O:45])[CH2:24][CH2:25]1.[CH:52]([OH:53])([CH3:54])[CH3:55].[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([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)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([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)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([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)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[c:2]1(-[c:32]2[c:31]([CH3:43])[c:30]([F:44])[cH:29][c:28]([C:27]([NH:26][CH:23]3[CH2:24][CH2:25]3)=[O:45])[cH:33]2)[cH:3][cH:4][c:5]2[c:6]([S:19](=[O:20])(=[O:21])[CH3:22])[n:7][n:8]([CH2:11][O:12][CH2:13][CH2:14][Si:15]([CH3:16])([CH3:17])[CH3:18])[c:9]2[cH:10]1