HRID2158995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8083

Morpholine

C4H9NO

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID4574913

未命名化合物

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNc1ncc(Br)cn1

HCID67087228

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNc1ncc(N2CCOCC2)cn1

HCID67087545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09426bdf136e4794b2a935deefe4b847
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][c:5]([NH:8][CH2:9][c:10]2[c:11](-[c:20]3[c:21]([O:29][CH3:30])[cH:22][cH:23][c:24]([CH:26]([CH3:27])[CH3:28])[cH:25]3)[cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)[n:6][cH:7]1.[C:31]([P:32]([C:33]([CH3:34])([CH3:35])[CH3:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][c:42]1-[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)([CH3:49])([CH3:50])[CH3:51].[CH2:52]1[CH2:53][O:54][CH2:55][CH2:56][NH:57]1.[CH3:58][C:59]([CH3:60])([O-:61])[CH3:62].[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[Na+:63].[O:109]=[C:110]([CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1)[CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd:71].[Pd:72]>>[c:2]1([N:57]2[CH2:52][CH2:53][O:54][CH2:55][CH2:56]2)[cH:3][n:4][c:5]([NH:8][CH2:9][c:10]2[c:11](-[c:20]3[c:21]([O:29][CH3:30])[cH:22][cH:23][c:24]([CH:26]([CH3:27])[CH3:28])[cH:25]3)[cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)[n:6][cH:7]1