HRID203815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID2734335

2,5-Difluorophenylboronic acid

C6H5BF2O2

HCID26369925

tert-Butyl 6-bromopyridine-3-carboxylate

C10H12BrNO2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(-c2cc(F)ccc2F)nc1

HCID67267400

1,1-Dimethylethyl 6-(2,5-difluorophenyl)-3-pyridinecarboxylate

C16H15F2NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cca46014c6f4f98aca5a72a0c22e375
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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