Potassium Cation → 1-(Tert-butoxycarbonyl)-2-methyl-4-(4,5-difluorobenzofur-7-yl)-1,2,3,6-tetrahydropyridine

HRID 191120Notes

Reaction equation

HRID 191120 reaction equation
[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20](=[O:21])[N:22]1[CH:23]([CH3:36])[CH2:24][C:25]([O:28][S:29]([C:30]([F:31])([F:32])[F:33])(=[O:34])=[O:35])=[CH:26][CH2:27]1.[CH3:128][CH2:129][O:130][CH2:131][CH3:132].[F:1][c:2]1[c:3]([F:14])[cH:4][c:5]([B:11]([OH:12])[OH:13])[c:6]2[c:7]1[cH:8][cH:9][o:10]2.[K+:42].[K+:43].[K+:44].[O:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[P:37]([O-:38])([O-:39])([O-:40])=[O:41].[c:51]1([PH:52]([Pd:53]([PH:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([PH:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[PH:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124][cH:125][cH:126][cH:127]1>>[F:1][c:2]1[c:3]([F:14])[cH:4][c:5]([C:25]2=[CH:26][CH2:27][N:22]([C:20]([O:19][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:21])[CH:23]([CH3:36])[CH2:24]2)[c:6]2[c:7]1[cH:8][cH:9][o:10]2

Participants

9

Reactant 8

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 224955901,1-Dimethylethyl 2-methyl-4-{[(trifluoromethyl)sulfonyl]oxy}-3,6-dihydro-1(2H)-pyridinecarboxylateHCID 22495642(4,5-Difluorobenzofuran-7-yl)boronic acidHCID 178420554HCID 178420554, compound

Product 1

HCID 224956761-(Tert-butoxycarbonyl)-2-methyl-4-(4,5-difluorobenzofur-7-yl)-1,2,3,6-tetrahydropyridine

Sources & evidence

ORD record
ord-b4ccca6da9df40779ef95d5a2ff756fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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