Acetate → Di-tert-butyl (3-(3-(4-((pyridin-2-yloxy)methyl)benzyl)isoxazol-5-yl)pyridin-2-yl)imidodicarbonate

HRID 691663Notes

Reaction equation

HRID 691663 reaction equation
[C:110]([O-:111])(=[O:112])[CH3:113].[C:115]([O-:116])(=[O:117])[CH3:118].[CH3:120][CH2:121][O:122][C:123](=[O:124])[CH3:125].[CH3:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][c:13]2[n:14][o:15][c:16](-[c:18]3[c:19]([N:24]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[n:20][cH:21][cH:22][cH:23]3)[cH:17]2)(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:83][c:84]1[cH:85][c:86](-[c:87]2[c:88]([N:89]([C:90]([O:91][C:92]([CH3:93])([CH3:94])[CH3:95])=[O:96])[C:97]([O:98][C:99]([CH3:100])([CH3:101])[CH3:102])=[O:103])[n:104][cH:105][cH:106][cH:107]2)[o:108][n:109]1.[K+:61].[K+:62].[K+:63].[OH2:119].[P:56]([O-:57])([O-:58])([O-:59])=[O:60].[Pd+2:114].[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1.[n:39]1[c:40]([O:45][CH2:46][c:47]2[cH:48][cH:49][c:50]([B:53]([OH:54])[OH:55])[cH:51][cH:52]2)[cH:41][cH:42][cH:43][cH:44]1>>[CH2:12]([c:13]1[n:14][o:15][c:16](-[c:18]2[c:19]([N:24]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[n:20][cH:21][cH:22][cH:23]2)[cH:17]1)[c:50]1[cH:49][cH:48][c:47]([CH2:46][O:45][c:40]2[n:39][cH:44][cH:43][cH:42][cH:41]2)[cH:52][cH:51]1

Participants

12

Reactant 11

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 44159845(4-((Pyridin-2-yloxy)methyl)phenyl)boronic acidHCID 58488959(5-{2-[Bis(tert-butoxycarbonyl)amino]pyridin-3-yl}isoxazol-3-yl)methyl 4-methylbenzenesulfonateHCID 67446064Di-tert-butyl [3-(3-methylisoxazol-5-yl)pyridin-2-yl]imidodicarbonate

Product 1

HCID 25114167Di-tert-butyl (3-(3-(4-((pyridin-2-yloxy)methyl)benzyl)isoxazol-5-yl)pyridin-2-yl)imidodicarbonate

Sources & evidence

ORD record
ord-a964772ede7d45ac89ea4f44ae77cb9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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