HRID827735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6386

tert-Butyl alcohol

C4H10O

HCID8083

Morpholine

C4H9NO

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：Cc1ccccc1-c1ccccc1P(C(C)(C)C)C(C)(C)C

HCID2734937

2-(Di-tert-butylphosphino)-2'-methyl-1,1'-biphenyl

C21H29P

结构：O=[N+]([O-])c1ccc(Oc2cc3cnn(C4CCCCO4)c3cc2Br)c(F)c1

HCID66766903

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1ccc(Oc2cc3cnn(C4CCCCO4)c3cc2N2CCOCC2)c(F)c1

HCID66767146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7319c27142314ea6bf79a8960abaa208
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[c:3]([O:17][c:18]2[c:19]([F:27])[cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]2)[cH:4][c:5]2[cH:6][n:7][n:8]([CH:11]3[O:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:9]2[cH:10]1.[C:28]([P:29]([C:30]([CH3:31])([CH3:32])[CH3:33])[c:34]1[cH:35][cH:36][cH:37][cH:38][c:39]1-[c:40]1[cH:41][cH:42][cH:43][cH:44][c:45]1[CH3:46])([CH3:47])([CH3:48])[CH3:49].[CH2:52]1[CH2:53][O:54][CH2:55][CH2:56][NH:57]1.[CH3:120][CH2:121][O:122][C:123]([CH3:124])=[O:125].[CH3:58][C:59]([OH:60])([CH3:61])[CH3:62].[K+:51].[O:102]=[C:103]([CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1)[CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[OH-:50].[OH2:63].[Pd:64].[Pd:65]>>[c:2]1([N:57]2[CH2:52][CH2:53][O:54][CH2:55][CH2:56]2)[c:3]([O:17][c:18]2[c:19]([F:27])[cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]2)[cH:4][c:5]2[cH:6][n:7][n:8]([CH:11]3[O:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:9]2[cH:10]1