HRID1135987

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(c2cccc([N+](=O)[O-])c2)OC1(C)C

HCID11265164

3-Nitrophenylboronic acid pinacol ester

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-c1cccc([N+](=O)[O-])c1

HCID69273781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fd98129426444f3a2661288c6fd3fb5
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

[C:40](=[O:41])([O-:42])[O-:43].[CH3:131][CH2:132][OH:133].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][c:11]([N+:15](=[O:16])[O-:17])[cH:12][cH:13][cH:14]2)[O:18]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[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].[OH2:130].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([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)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([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)[P:97]([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)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]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][c:11]([N+:15](=[O:16])[O-:17])[cH:12][cH:13][cH:14]1