HRID86466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID947

Nitrogen

HCID6405

2-Methyl-2-butanol

C5H12O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

HCID13089979

5-tert-Butyl-2-methylaniline

C11H17N

结构：CN(C)C(=O)c1cc(Cl)nc(N2CCC(n3ccnc3)CC2)c1

HCID86639110

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(C)(C)C)cc1Nc1cc(C(=O)N(C)C)cc(N2CCC(n3ccnc3)CC2)n1

HCID59191959

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4bd26e8e14c458293ccad92cbd10e3e
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:24]([CH3:25])([CH3:26])([CH3:27])[c:28]1[cH:29][cH:30][c:31]([CH3:35])[c:32]([NH2:33])[cH:34]1.[C:70](=[O:71])([O-:72])[O-:73].[C:78]([OH:79])([CH2:80][CH3:81])([CH3:82])[CH3:83].[CH:36]1([P:37]([CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2-[c:50]2[c:51]([CH:52]([CH3:53])[CH3:54])[cH:55][c:56]([CH:57]([CH3:58])[CH3:59])[cH:60][c:61]2[CH:62]([CH3:63])[CH3:64])[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1.[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[N:7]([CH3:8])[CH3:9])[cH:10][c:11]([N:13]2[CH2:14][CH2:15][CH:16]([n:19]3[cH:20][n:21][cH:22][cH:23]3)[CH2:17][CH2:18]2)[n:12]1.[K+:74].[K+:75].[N:76]#[N:77].[O:104]=[C:105]([CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1)[CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1.[O:122]=[C:123]([CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1)[CH:132]=[CH:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]1.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Pd:84].[Pd:85]>>[c:2]1([NH:33][c:32]2[c:31]([CH3:35])[cH:30][cH:29][c:28]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:34]2)[cH:3][c:4]([C:5](=[O:6])[N:7]([CH3:8])[CH3:9])[cH:10][c:11]([N:13]2[CH2:14][CH2:15][CH:16]([n:19]3[cH:20][n:21][cH:22][cH:23]3)[CH2:17][CH2:18]2)[n:12]1