HRID665598

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID70770

Ethyl 4-piperidinecarboxylate

C8H15NO2

HCID95417

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

C17H14O

3 次

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID4574913

未命名化合物

结构：CCOc1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(Br)cn1

HCID86626781

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCN(c2cnc(N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)Cc3cc(C(F)(F)F)ccc3OCC)nc2)CC1

HCID86626782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a84707a06316477396296ffbca02d56a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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