HRID1142785

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID69115

Benzene, 1-iodo-2-nitro-

C6H4INO2

HCID4641692

6-Methoxy-2-naphthaleneboronic acid

C11H11BO3

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：COc1ccc2cc(-c3ccccc3[N+](=O)[O-])ccc2c1

HCID23087369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-447f1c9faa464543aa11f9dc99d148e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:11][O:12][c:13]1[cH:14][c:15]2[cH:16][cH:17][c:18]([B:23]([OH:24])[OH:25])[cH:19][c:20]2[cH:21][cH:22]1.[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[I:1][c:2]1[c:3]([N+:8](=[O:9])[O-:10])[cH:4][cH:5][cH:6][cH:7]1.[Na+:26].[Na+:27].[O-:28][C:29](=[O:30])[O-:31].[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:18]2[cH:17][cH:16][c:15]3[cH:14][c:13]([O:12][CH3:11])[cH:22][cH:21][c:20]3[cH:19]2)[c:3]([N+:8](=[O:9])[O-:10])[cH:4][cH:5][cH:6][cH:7]1