HRID114726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID4574913

未命名化合物

HCID17980344

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(Br)n2)CC1

HCID86600923

1,1-Dimethylethyl 4-[(6-bromo-2-pyridinyl)carbonyl]-1-piperidinecarboxylate

C16H21BrN2O3

PRODUCTS

生成物

结构：CN(C(=O)c1c(F)cc(F)cc1F)c1cccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)n1

HCID67443114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35b4000100f24b20a876259c88dd9817
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[n:3][c:4]([C:8](=[O:9])[CH:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:14][CH2:15]2)[cH:5][cH:6][cH:7]1.[CH3:23][NH:24][C:25]([c:26]1[c:27]([F:34])[cH:28][c:29]([F:33])[cH:30][c:31]1[F:32])=[O:35].[CH3:82][C:83]([CH3:84])([O-:85])[CH3:86].[CH3:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[Na+:87].[O:115]=[C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)[CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[O:133]=[C:134]([CH:135]=[CH:136][c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1)[CH:143]=[CH:144][c:145]1[cH:146][cH:147][cH:148][cH:149][cH:150]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[Pd:95].[Pd:96].[cH:36]1[cH:37][cH:38][c:39]([P:40]([c:41]2[cH:42][cH:43][c:44]3[c:45]([cH:46][cH:47][cH:48][cH:49]3)[c:50]2-[c:51]2[c:52]3[c:53]([cH:54][cH:55][cH:56][cH:57]3)[cH:58][cH:59][c:60]2[P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81]1>>[c:2]1([N:24]([CH3:23])[C:25]([c:26]2[c:27]([F:34])[cH:28][c:29]([F:33])[cH:30][c:31]2[F:32])=[O:35])[n:3][c:4]([C:8](=[O:9])[CH:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:14][CH2:15]2)[cH:5][cH:6][cH:7]1