HRID1206245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID70132

4-Bromo-2-nitroaniline

C6H5BrN2O2

HCID3772958

3-Chloro-4-(trifluoromethyl)phenylboronic acid

C7H5BClF3O2

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(-c2ccc(C(F)(F)F)c(Cl)c2)cc1[N+](=O)[O-]

HCID67386977

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2c996bc6bb74711b4c1f33843970d87
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([N+:9](=[O:10])[O-:11])[c:5]([NH2:6])[cH:7][cH:8]1.[C:26](=[O:27])([O-:28])[O-:29].[Cl:12][c:13]1[cH:14][c:15]([B:23]([OH:24])[OH:25])[cH:16][cH:17][c:18]1[C:19]([F:20])([F:21])[F:22].[Na+:30].[Na+:31].[cH:32]1[cH:33][cH:34][c:35]([P:36]([Pd:37]([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([P:57]([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)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[P:76]([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)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108]1>>[c:2]1(-[c:15]2[cH:14][c:13]([Cl:12])[c:18]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:16]2)[cH:3][c:4]([N+:9](=[O:10])[O-:11])[c:5]([NH2:6])[cH:7][cH:8]1