HRID2339913

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

HCID52911268

3-Amino-5-bromo-1-methylpyridin-2(1H)-one

C6H7BrN2O

结构：Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1B1OC(C)(C)C(C)(C)O1

HCID58728993

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：Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(N)c(=O)n(C)c1

HCID59557875

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-afe546968cd14d6c9678a22dbdff6192
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:11]([CH3:12])([CH3:13])([CH3:14])[c:15]1[cH:16][cH:17][c:18]([C:19](=[O:20])[NH:21][c:22]2[c:23]([CH3:37])[c:24]([B:28]3[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]3)[cH:25][cH:26][cH:27]2)[cH:38][cH:39]1.[C:46](=[O:47])([O-:48])[O-:49].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[NH2:1][c:2]1[c:3](=[O:10])[n:4]([CH3:9])[cH:5][c:6]([Br:8])[cH:7]1.[Na+:50].[Na+:51].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[NH2:1][c:2]1[c:3](=[O:10])[n:4]([CH3:9])[cH:5][c:6](-[c:24]2[c:23]([CH3:37])[c:22]([NH:21][C:19]([c:18]3[cH:17][cH:16][c:15]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:39][cH:38]3)=[O:20])[cH:27][cH:26][cH:25]2)[cH:7]1