HRID1142394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7582

Dicyclohexylamine

C12H23N

HCID23938

Palladium

HCID26255

Tetrafluoroborate

BF4-

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

2 次

HCID2758812

Ethyl N-Boc-piperidine-4-carboxylate

C13H23NO4

HCID4060964

未命名化合物

结构：Fc1ccc(-n2ncnc2-n2cc3c(n2)-c2cc(Br)ccc2OCC3)c(F)c1

HCID58204488

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCOC(=O)C1(c2ccc3c(c2)-c2nn(-c4ncnn4-c4ccc(F)cc4F)cc2CCO3)CCN(C(=O)OC(C)(C)C)CC1

HCID58204619

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f53bbd5438974af7a0f43ca40c3e7f9d
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

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