HRID197370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

HCID2734387

2-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

结构：COc1cc2c(cc1OC)N(C(=O)c1ccc(Br)c(C)c1)Cc1cccn1C2

HCID21947739

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1OC)N(C(=O)c1ccc(-c3ccccc3C(F)(F)F)c(C)c1)Cc1cccn1C2

HCID21947748

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d86a65de1cf4e1aa15690d89f5d1859
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

[CH3:1][O:2][c:3]1[c:4]([O:27][CH3:28])[cH:5][c:6]2[c:7]([cH:26]1)[CH2:8][n:9]1[c:10]([cH:23][cH:24][cH:25]1)[CH2:11][N:12]2[C:13](=[O:14])[c:15]1[cH:16][c:17]([CH3:22])[c:18]([Br:21])[cH:19][cH:20]1.[F:29][C:30]([c:31]1[c:32]([B:37]([OH:38])[OH:39])[cH:33][cH:34][cH:35][cH:36]1)([F:40])[F:41].[K+:47].[K+:48].[K+:49].[O:127]1[CH2:128][CH2:129][O:130][CH2:131][CH2:132]1.[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[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>>[CH3:1][O:2][c:3]1[c:4]([O:27][CH3:28])[cH:5][c:6]2[c:7]([cH:26]1)[CH2:8][n:9]1[c:10]([cH:23][cH:24][cH:25]1)[CH2:11][N:12]2[C:13](=[O:14])[c:15]1[cH:16][c:17]([CH3:22])[c:18](-[c:32]2[c:31]([C:30]([F:29])([F:40])[F:41])[cH:36][cH:35][cH:34][cH:33]2)[cH:19][cH:20]1