Hydrochloric Acid → 5-(2,5-difluorobenzyl)-N-(4-(triethylsilyl)but-3-ynyl)isoxazole-3-carboxamide

HRID 295120Notes

Reaction equation

HRID 295120 reaction equation
[CH3:85][OH:86].[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[Cl:93][CH2:94][Cl:95].[ClH:34].[F:68][c:69]1[c:70]([CH2:71][c:72]2[cH:73][c:74]([C:77](=[O:78])[OH:79])[n:75][o:76]2)[cH:80][c:81]([F:84])[cH:82][cH:83]1.[N:1](=[N+:2]=[N-:3])[CH2:4][CH2:5][C:6]#[C:7][Si:8]([CH2:9][CH3:10])([CH2:11][CH3:12])[CH2:13][CH3:14].[O:87]1[CH2:88][CH2:89][O:90][CH2:91][CH2:92]1.[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[c:15]1([P:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][cH:30][cH:31][cH:32][cH:33]1.[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[NH:1]([CH2:4][CH2:5][C:6]#[C:7][Si:8]([CH2:9][CH3:10])([CH2:11][CH3:12])[CH2:13][CH3:14])[C:77]([c:74]1[cH:73][c:72]([CH2:71][c:70]2[c:69]([F:68])[cH:83][cH:82][c:81]([F:84])[cH:80]2)[o:76][n:75]1)=[O:78]

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 11776TriphenylphosphineHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 668320395-(2,5-Difluorobenzyl)isoxazole-3-carboxylic acidHCID 86663839(4-Azidobut-1-ynyl)triethylsilane

Product 1

HCID 668320895-(2,5-difluorobenzyl)-N-(4-(triethylsilyl)but-3-ynyl)isoxazole-3-carboxamide

Sources & evidence

ORD record
ord-00ad2a8a18704536a88d95f36b6d673c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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