HRID317941

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID10908

tert-Butyl acetate

C6H12O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

反应SMILES：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H36NP

HCID3280088

未命名化合物

反应SMILES：Cc1ccc2ccc(Cl)c(OS(=O)(=O)C(F)(F)F)c2n1

HCID86625791

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

反应SMILES：Cc1ccc2ccc(Cl)c(CC(=O)OC(C)(C)C)c2n1

HCID66881451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f3327a18f4f543c19075144550aff5bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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