HRID170221

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID2774010

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C9H15BN2O2

HCID58302950

未命名化合物

PRODUCTS

生成物

结构：Fc1cc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)ccc1Cl

HCID11462413

4-(4-Chloro-3-fluoro-phenyl)-4-[4-(1H-pyrazol-4-yl)-phenyl]-piperidine

C20H19ClFN3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63ae1aa831704e1aadaf4a1120e47235
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][cH:4][c:5]([C:8]2([c:14]3[cH:15][c:16]([F:21])[c:17]([Cl:20])[cH:18][cH:19]3)[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[CH3:22][C:23]1([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28][B:29]([c:30]2[cH:31][n:32][nH:33][cH:34]2)[O:35]1.[Pd:36].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1.[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1.[c:75]1([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:89][cH:90][cH:91][cH:92][cH:93]1.[c:94]1([P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[cH:108][cH:109][cH:110][cH:111][cH:112]1>>[c:2]1(-[c:30]2[cH:31][n:32][nH:33][cH:34]2)[cH:3][cH:4][c:5]([C:8]2([c:14]3[cH:15][c:16]([F:21])[c:17]([Cl:20])[cH:18][cH:19]3)[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:6][cH:7]1