HRID287228

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID12453839

tert-Butyl [(4-bromophenyl)methyl]carbamate

C12H16BrNO2

HCID57416447

(5-Cyano-2-methoxypyridin-3-yl)boronic acid

C7H7BN2O3

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：COc1ncc(C#N)cc1-c1ccc(CNC(=O)OC(C)(C)C)cc1

HCID67244354

1,1-Dimethylethyl N-[[4-(5-cyano-2-methoxy-3-pyridinyl)phenyl]methyl]carbamate

C19H21N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4424a034ebf6462b97e762eee1782799
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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