HRID178080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2795502

4-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine

C17H26BNO3

结构：Cc1cc(C)c(CNC(=O)c2cc(Br)cc3c2cnn3C(C)C)c(=O)[nH]1

HCID54596490

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：Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2cnn3C(C)C)c(=O)[nH]1

HCID60160560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c4dbedebbee4cab9af51641e654bcba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:14](=[O:15])[NH:16][CH2:17][c:18]2[c:19](=[O:26])[nH:20][c:21]([CH3:25])[cH:22][c:23]2[CH3:24])[c:5]2[cH:6][n:7][n:8]([CH:11]([CH3:12])[CH3:13])[c:9]2[cH:10]1.[C:49](=[O:50])([O-:51])[O-:52].[CH2:61]1[O:62][CH2:63][CH2:64][O:65][CH2:66]1.[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([c:35]2[cH:36][cH:37][c:38]([CH2:39][N:40]3[CH2:41][CH2:42][O:43][CH2:44][CH2:45]3)[cH:46][cH:47]2)[O:48]1.[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[Na+:53].[Na+:54].[cH:67]1[cH:68][cH:69][c:70]([P:71]([Pd:72]([P:73]([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)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([P:92]([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)[P:111]([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)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)([c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[c:136]2[cH:137][cH:138][cH:139][cH:140][cH:141]2)[cH:142][cH:143]1>>[c:2]1(-[c:35]2[cH:36][cH:37][c:38]([CH2:39][N:40]3[CH2:41][CH2:42][O:43][CH2:44][CH2:45]3)[cH:46][cH:47]2)[cH:3][c:4]([C:14](=[O:15])[NH:16][CH2:17][c:18]2[c:19](=[O:26])[nH:20][c:21]([CH3:25])[cH:22][c:23]2[CH3:24])[c:5]2[cH:6][n:7][n:8]([CH:11]([CH3:12])[CH3:13])[c:9]2[cH:10]1