HRID2338893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

结构：CC1(C)OB(c2ccc([N+](=O)[O-])cc2)OC1(C)C

HCID2773555

4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane

C12H16BNO4

HCID17197569

3-Iodo-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

C15H11F3INO

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(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc([N+](=O)[O-])cc1

HCID69042860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cc3c7faa9864c66b5f325da3cce7dd5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:40](=[O:41])([O-:42])[O-:43].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]2)[O:18]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][CH2:54][OH:55].[I:19][c:20]1[cH:21][c:22]([C:23](=[O:24])[NH:25][c:26]2[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]2)[cH:36][cH:37][c:38]1[CH3:39].[K+:44].[K+:45].[OH2:56].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([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)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([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)[P:101]([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)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[c:9]1(-[c:20]2[cH:21][c:22]([C:23](=[O:24])[NH:25][c:26]3[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]3)[cH:36][cH:37][c:38]2[CH3:39])[cH:10][cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]1