HRID88668

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID2783171

2-Bromo-5-fluoropyridine

C5H3BrFN

结构：CCC(C)(C)CC(O)CNC(=O)C1(Cc2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C

HCID66705859

未命名化合物

PRODUCTS

生成物

结构：CCC(C)(C)CC(O)CNC(=O)C1(Cc2ccc(-c3ccc(F)cn3)cc2)CCCN1C(=O)OC(C)(C)C

HCID66705703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83d6c8bd54284129a9275f5db7c57074
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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