HRID806177

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID67602

1-Bromo-3,5-bis(trifluoromethyl)benzene

C8H3BrF6

HCID105144

Palladium(2+)

Pd+2

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNc1ncc(OCCCC(=O)OC(C)(C)C)cn1

HCID66603218

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(OCCCC(=O)OC(C)(C)C)cn1

HCID86626893

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7a33628714b4ec7ae3b20c26c0984f8
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:83][c:84]1[cH:85][c:86]([C:94]([F:95])([F:96])[F:97])[cH:87][c:88]([C:90]([F:91])([F:92])[F:93])[cH:89]1.[C:103]([O-:104])(=[O:105])[CH3:106].[C:98]([O-:99])(=[O:100])[CH3:101].[CH3:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[CH:43]([CH3:44])([CH3:45])[c:46]1[cH:47][cH:48][c:49]([O:81][CH3:82])[c:50](-[c:52]2[c:53]([CH2:62][NH:63][c:64]3[n:65][cH:66][c:67]([O:70][CH2:71][CH2:72][CH2:73][C:74](=[O:75])[O:76][C:77]([CH3:78])([CH3:79])[CH3:80])[cH:68][n:69]3)[cH:54][c:55]([C:58]([F:59])([F:60])[F:61])[cH:56][cH:57]2)[cH:51]1.[Pd+2:102].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[c:10]3[c:34]([cH:35][cH:36][cH:37]2)[C:31]([CH3:32])([CH3:33])[c:13]2[c:12]([c:17]([P:18]([c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:16][cH:15][cH:14]2)[O:11]3)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[CH:43]([CH3:44])([CH3:45])[c:46]1[cH:47][cH:48][c:49]([O:81][CH3:82])[c:50](-[c:52]2[c:53]([CH2:62][N:63]([c:64]3[n:65][cH:66][c:67]([O:70][CH2:71][CH2:72][CH2:73][C:74](=[O:75])[O:76][C:77]([CH3:78])([CH3:79])[CH3:80])[cH:68][n:69]3)[c:84]3[cH:85][c:86]([C:94]([F:95])([F:96])[F:97])[cH:87][c:88]([C:90]([F:91])([F:92])[F:93])[cH:89]3)[cH:54][c:55]([C:58]([F:59])([F:60])[F:61])[cH:56][cH:57]2)[cH:51]1