HRID87027

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID10439

2-Aminopyridine

C5H6N2

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

结构：CN1c2c(cc(Br)cc2C(F)(F)F)C2CN(C(=O)OC(C)(C)C)CCC21

HCID67182325

未命名化合物

PRODUCTS

生成物

结构：CN1c2c(cc(Nc3ccccn3)cc2C(F)(F)F)C2CN(C(=O)OC(C)(C)C)CCC21

HCID67183531

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b4429d554b0430abccbb64ef28b7eb8
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH:11]([N:12]([CH3:24])[c:13]3[c:14]([C:20]([F:21])([F:22])[F:23])[cH:15][c:16]([Br:19])[cH:17][c:18]32)[CH2:25][CH2:26]1.[CH3:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[CH3:87][CH2:88][O:89][C:90]([CH3:91])=[O:92].[NH2:27][c:28]1[n:29][cH:30][cH:31][cH:32][cH:33]1.[O:113]=[C:114]([CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1)[CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1.[O:131]=[C:132]([CH:133]=[CH:134][c:135]1[cH:136][cH:137][cH:138][cH:139][cH:140]1)[CH:141]=[CH:142][c:143]1[cH:144][cH:145][cH:146][cH:147][cH:148]1.[O:95]=[C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)[CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[Pd:93].[Pd:94].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][c:45]3[c:46]([cH:47][cH:48][cH:49][cH:50]3)[c:51]2-[c:52]2[c:53]3[c:54]([cH:55][cH:56][cH:57][cH:58]3)[cH:59][cH:60][c:61]2[P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH:11]([N:12]([CH3:24])[c:13]3[c:14]([C:20]([F:21])([F:22])[F:23])[cH:15][c:16]([NH:27][c:28]4[n:29][cH:30][cH:31][cH:32][cH:33]4)[cH:17][c:18]32)[CH2:25][CH2:26]1