Ethyl Acetate → Tert-butyl 4-((4-(4-cyano-2-(2,6-difluorophenyl)oxazol-5-ylamino)benzamido)methyl)piperidine-1-carboxylate

HRID 165533Notes

Reaction equation

HRID 165533 reaction equation
[Br:43][c:44]1[c:45]([C:57]#[N:58])[n:46][c:47](-[c:49]2[c:50]([F:56])[cH:51][cH:52][cH:53][c:54]2[F:55])[o:48]1.[C:83](=[O:84])([O-:85])[O-:86].[CH3:1][C:2]1([CH3:3])[c:4]2[cH:5][cH:6][cH:7][c:8]([P:9]([c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:22]2[O:23][c:24]2[c:25]1[cH:26][cH:27][cH:28][c:29]2[P:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:89][CH2:90][O:91][C:92]([CH3:93])=[O:94].[Cs+:87].[Cs+:88].[NH2:59][c:60]1[cH:61][cH:62][c:63]([C:64](=[O:65])[NH:66][CH2:67][CH:68]2[CH2:69][CH2:70][N:71]([C:74](=[O:75])[O:76][C:77]([CH3:78])([CH3:79])[CH3:80])[CH2:72][CH2:73]2)[cH:81][cH:82]1.[O:115]=[C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)[CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[O:133]=[C:134]([CH:135]=[CH:136][c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1)[CH:143]=[CH:144][c:145]1[cH:146][cH:147][cH:148][cH:149][cH:150]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[Pd:95].[Pd:96]>>[c:44]1([NH:59][c:60]2[cH:61][cH:62][c:63]([C:64](=[O:65])[NH:66][CH2:67][CH:68]3[CH2:69][CH2:70][N:71]([C:74](=[O:75])[O:76][C:77]([CH3:78])([CH3:79])[CH3:80])[CH2:72][CH2:73]3)[cH:81][cH:82]2)[c:45]([C:57]#[N:58])[n:46][c:47](-[c:49]2[c:50]([F:56])[cH:51][cH:52][cH:53][c:54]2[F:55])[o:48]1

Participants

9

Reactant 8

HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 595875125-Bromo-2-(2,6-difluorophenyl)oxazole-4-carbonitrileHCID 59587665Tert-butyl 4-((4-aminobenzamido)methyl)piperidine-1-carboxylate

Product 1

HCID 59587428Tert-butyl 4-((4-(4-cyano-2-(2,6-difluorophenyl)oxazol-5-ylamino)benzamido)methyl)piperidine-1-carboxylate

Sources & evidence

ORD record
ord-ea5c13bab980442eb6247673db9a5892
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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