HRID163531

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2734386

4-(Trifluoromethoxy)phenylboronic acid

C7H6BF3O3

HCID63872317

5-Bromo-N-(4-methyl-3-nitrophenyl)pyrimidin-2-amine

C11H9BrN4O2

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：Cc1ccc(Nc2ncc(-c3ccc(OC(F)(F)F)cc3)cn2)cc1[N+](=O)[O-]

HCID68727421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aebe0c0c43934f3fa99d20da29543980
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][n:4][c:5]([NH:8][c:9]2[cH:10][c:11]([N+:16](=[O:17])[O-:18])[c:12]([CH3:15])[cH:13][cH:14]2)[n:6][cH:7]1.[C:33](=[O:34])([O-:35])[O-:36].[CH2:39]1[O:40][CH2:41][CH2:42][O:43][CH2:44]1.[F:19][C:20]([O:21][c:22]1[cH:23][cH:24][c:25]([B:28]([OH:29])[OH:30])[cH:26][cH:27]1)([F:31])[F:32].[Na+:37].[Na+:38].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[c:2]1(-[c:25]2[cH:24][cH:23][c:22]([O:21][C:20]([F:19])([F:31])[F:32])[cH:27][cH:26]2)[cH:3][n:4][c:5]([NH:8][c:9]2[cH:10][c:11]([N+:16](=[O:17])[O-:18])[c:12]([CH3:15])[cH:13][cH:14]2)[n:6][cH:7]1