HRID1122793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID2782667

2,4-Bis(trifluoromethyl)phenylboronic acid

C8H5BF6O2

结构：CC(C)(Cc1c[nH]c2c(OS(=O)(=O)C(F)(F)F)cccc12)NC(=O)OC(C)(C)C

HCID86595245

未命名化合物

PRODUCTS

生成物

结构：CC(C)(Cc1c[nH]c2c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cccc12)NC(=O)OC(C)(C)C

HCID86595246

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50503a073f054e069b3d4ed431e32787
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][c:11]1[cH:12][nH:13][c:14]2[c:15]([O:20][S:21]([C:22]([F:23])([F:24])[F:25])(=[O:26])=[O:27])[cH:16][cH:17][cH:18][c:19]12)([CH3:28])[CH3:29].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[F:37][C:38]([c:39]1[c:40]([B:49]([OH:50])[OH:51])[cH:41][cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[cH:44]1)([F:52])[F:53].[Pd:65].[c:104]1([P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119][cH:120][cH:121][cH:122]1.[c:123]1([P:124]([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138][cH:139][cH:140][cH:141]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][c:11]1[cH:12][nH:13][c:14]2[c:15](-[c:40]3[c:39]([C:38]([F:37])([F:52])[F:53])[cH:44][c:43]([C:45]([F:46])([F:47])[F:48])[cH:42][cH:41]3)[cH:16][cH:17][cH:18][c:19]12)([CH3:28])[CH3:29]