HRID314831

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID61668

Boronic acid

H3BO2

HCID89648

2-Chloro-3-methyl-5-nitropyridine

C6H5ClN2O2

HCID2777188

3-(Trifluoromethoxy)anisole

C8H7F3O2

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：COc1cc(OC(F)(F)F)ccc1-c1ncc([N+](=O)[O-])cc1C

HCID22490053

2-(2-Methoxy-4-trifluoromethoxy-phenyl)-3-methyl-5-nitro-pyridine

C14H11F3N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bab5d91c7ba407d8799ff44b46a10df
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

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