HRID165997

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID70132

4-Bromo-2-nitroaniline

C6H5BrN2O2

HCID2734387

2-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

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：Nc1ccc(-c2ccccc2C(F)(F)F)cc1[N+](=O)[O-]

HCID50994036

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a745d31231e94740bb9170893bf45e14
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][c:4]([N+:9](=[O:10])[O-:11])[c:5]([NH2:8])[cH:6][cH:7]1.[C:27](=[O:28])([O-:29])[O-:30].[CH3:33][O:34][CH2:35][CH2:36][O:37][CH3:38].[Cl-:25].[F:12][C:13]([c:14]1[c:15]([B:20]([OH:21])[OH:22])[cH:16][cH:17][cH:18][cH:19]1)([F:23])[F:24].[Li+:26].[Na+:31].[Na+:32].[OH2:39].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[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)[cH:115][cH:116]1>>[c:2]1(-[c:15]2[c:14]([C:13]([F:12])([F:23])[F:24])[cH:19][cH:18][cH:17][cH:16]2)[cH:3][c:4]([N+:9](=[O:10])[O-:11])[c:5]([NH2:8])[cH:6][cH:7]1