HRID151546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID1515237

2-(4-bromophenyl)pyridine

C11H8BrN

结构：CC(C)(C)c1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1

HCID59439787

未命名化合物

HCID178418306

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccccn5)cc4)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1

HCID67336272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-976a9cba1f894254b44bce706b04da57
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:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[n:19][c:20](-[c:34]3[cH:35][cH:36][c:37]([C:40]([CH3:41])([CH3:42])[CH3:43])[cH:38][cH:39]3)[n:21][c:22](-[c:24]3[cH:25][cH:26][c:27]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:28][cH:29]3)[n:23]2)[cH:16][cH:17]1.[Br:44][c:45]1[cH:46][cH:47][c:48](-[c:51]2[n:52][cH:53][cH:54][cH:55][cH:56]2)[cH:49][cH:50]1.[C:6]([Li:7])([CH3:8])([CH3:9])[CH3:10].[CH3:1][CH2:2][CH2:3][CH2:4][CH3:5].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[Pd:62].[c:101]1([P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116][cH:117][cH:118][cH:119]1.[c:120]1([P:121]([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135][cH:136][cH:137][cH:138]1.[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1.[c:82]1([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[cH:96][cH:97][cH:98][cH:99][cH:100]1>>[c:12]1(-[c:45]2[cH:46][cH:47][c:48](-[c:51]3[n:52][cH:53][cH:54][cH:55][cH:56]3)[cH:49][cH:50]2)[cH:13][cH:14][c:15](-[c:18]2[n:19][c:20](-[c:34]3[cH:35][cH:36][c:37]([C:40]([CH3:41])([CH3:42])[CH3:43])[cH:38][cH:39]3)[n:21][c:22](-[c:24]3[cH:25][cH:26][c:27]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:28][cH:29]3)[n:23]2)[cH:16][cH:17]1