HRID1147621

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID11658712

5-BROMO-2,4'-BIPYRIDINE

C10H7BrN2

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

HCID178418339

Butyllithium

C4H9Li

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccncc5)nc4)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1

HCID67334760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fafb7139405488ea42d0edd3211ce24
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:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[n:20][c:21](-[c:35]3[cH:36][cH:37][c:38]([C:41]([CH3:42])([CH3:43])[CH3:44])[cH:39][cH:40]3)[n:22][c:23](-[c:25]3[cH:26][cH:27][c:28]([C:31]([CH3:32])([CH3:33])[CH3:34])[cH:29][cH:30]3)[n:24]2)[cH:17][cH:18]1.[Br:45][c:46]1[cH:47][cH:48][c:49](-[c:52]2[cH:53][cH:54][n:55][cH:56][cH:57]2)[n:50][cH:51]1.[CH2:7]([Li:8])[CH2:9][CH2:10][CH3:11].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[O:135]1[CH2:136][CH2:137][CH2:138][CH2:139]1.[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([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)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([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)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[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)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[c:13]1(-[c:46]2[cH:47][cH:48][c:49](-[c:52]3[cH:53][cH:54][n:55][cH:56][cH:57]3)[n:50][cH:51]2)[cH:14][cH:15][c:16](-[c:19]2[n:20][c:21](-[c:35]3[cH:36][cH:37][c:38]([C:41]([CH3:42])([CH3:43])[CH3:44])[cH:39][cH:40]3)[n:22][c:23](-[c:25]3[cH:26][cH:27][c:28]([C:31]([CH3:32])([CH3:33])[CH3:34])[cH:29][cH:30]3)[n:24]2)[cH:17][cH:18]1