Sodium ion → tert-Butyl 4-[2-(trifluoromethyl)phenyl]-1,2,5,6-tetrahydropyridinecarboxylate
Reaction equation
[C:35]([O:36][C:37]([N:38]1[CH2:39][CH2:40][C:41](=[O:42])[CH2:43][CH2:44]1)=[O:45])([CH3:46])([CH3:47])[CH3:48].[C:57](=[O:58])([O-:59])[O-:60].[CH3:50][CH:51]([N-:52][CH:53]([CH3:54])[CH3:55])[CH3:56].[CH3:64][O:65][CH2:66][CH2:67][O:68][CH3:69].[F:14][C:15]([F:16])([F:17])[S:18]([O:19][C:20]1=[CH:21][CH:22]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[NH:23][CH2:24][CH2:25]1)(=[O:33])=[O:34].[F:1][C:2]([c:3]1[c:4]([B:9]([OH:10])[OH:11])[cH:5][cH:6][cH:7][cH:8]1)([F:12])[F:13].[Li+:49].[Na+:61].[Na+:62].[OH2:63].[cH:70]1[cH:71][cH:72][c:73]([P:74]([Pd:75]([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[P:114]([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)([c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[c:139]2[cH:140][cH:141][cH:142][cH:143][cH:144]2)[cH:145][cH:146]1>>[F:1][C:2]([c:3]1[c:4]([C:20]2=[CH:21][CH:22]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[NH:23][CH2:24][CH2:25]2)[cH:5][cH:6][cH:7][cH:8]1)([F:12])[F:13]Participants
11
Reactant 10
HCID 923Sodium ion2×
HCID 962Water
HCID 80711,2-Dimethoxyethane
HCID 19660Carbonate Ion
HCID 28486Lithium ion
HCID 735900tert-Butyl 4-oxopiperidine-1-carboxylate
HCID 27343872-(Trifluoromethyl)benzeneboronic acid
HCID 5062348Diisopropylamide
HCID 22266210Tert-butyl 4-[(trifluoromethyl)sulfonyloxy]-1,2,5,6-tetrahydropyridinecarboxylate
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-b7e613148f384ac1962b7d864fd22365
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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