HRID1120018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6386

tert-Butyl alcohol

C4H10O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID101254

2-Fluoro-4-nitroaniline

C6H5FN2O2

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

HCID17979323

4-Chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine

C8H7ClN2

PRODUCTS

生成物

结构：Cc1c[nH]c2nccc(Nc3ccc([N+](=O)[O-])cc3F)c12

HCID59304987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-006efe41716b4ba3b0703b2d2f5b1d95
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:57](=[O:58])([O-:59])[O-:60].[CH3:63][C:64]([OH:65])([CH3:66])[CH3:67].[CH:23]1([P:24]([CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2-[c:37]2[c:38]([CH:39]([CH3:40])[CH3:41])[cH:42][c:43]([CH:44]([CH3:45])[CH3:46])[cH:47][c:48]2[CH:49]([CH3:50])[CH3:51])[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[nH:8][cH:9][c:10]2[CH3:11].[F:12][c:13]1[c:14]([NH2:15])[cH:16][cH:17][c:18]([N+:20](=[O:21])[O-:22])[cH:19]1.[K+:61].[K+:62].[O:106]=[C:107]([CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1)[CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[O:70]=[C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Pd:68].[Pd:69]>>[c:2]1([NH:15][c:14]2[c:13]([F:12])[cH:19][c:18]([N+:20](=[O:21])[O-:22])[cH:17][cH:16]2)[c:3]2[c:4]([n:5][cH:6][cH:7]1)[nH:8][cH:9][c:10]2[CH3:11]