HRID106048

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2734352

4-Ethylphenylboronic acid

C8H11BO2

结构：CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(Cl)c(Br)cc12

HCID22319528

N-[5-bromo-6-chloro-1-[(2-trimethylsilylethoxy)methyl]indazol-3-yl]butanamide

C17H25BrClN3O2Si

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：CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(Cl)c(-c3ccc(CC)cc3)cc12

HCID22319548

N-[6-chloro-5-(4-ethylphenyl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl]butanamide

C25H34ClN3O2Si

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-522910d48f1d4414b190de0679608c8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:18][c:19]1[cH:20][c:21]2[c:22]([NH:37][C:38]([CH2:39][CH2:40][CH3:41])=[O:42])[n:23][n:24]([CH2:29][O:30][CH2:31][CH2:32][Si:33]([CH3:34])([CH3:35])[CH3:36])[c:25]2[cH:26][c:27]1[Cl:28].[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([B:9]([OH:10])[OH:11])[cH:7][cH:8]1.[CH3:127][CH2:128][O:129][C:130](=[O:131])[CH3:132].[Na+:12].[Na+:13].[O-:14][C:15](=[O:16])[O-:17].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[OH2:126].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6](-[c:19]2[cH:20][c:21]3[c:22]([NH:37][C:38]([CH2:39][CH2:40][CH3:41])=[O:42])[n:23][n:24]([CH2:29][O:30][CH2:31][CH2:32][Si:33]([CH3:34])([CH3:35])[CH3:36])[c:25]3[cH:26][c:27]2[Cl:28])[cH:7][cH:8]1