HRID164164

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID2734385

3-(Trifluoromethoxy)phenylboronic acid

C7H6BF3O3

结构：Cc1cc(Br)cc(C)c1C(=O)N1CCC(N2CCCC2)CC1

HCID66901599

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cccc(OC(F)(F)F)c2)cc(C)c1C(=O)N1CCC(N2CCCC2)CC1

HCID25190014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d7769c8e4c940c0a977439333d2ed87
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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