Tetrahydrofuran → 4-(3-Bromo-4-fluorophenyl)-3-{4-[(3-methoxypropyl)amino]-1,2,5-oxadiazol-3-yl}-1,2,4-oxadiazol-5(4H)-one

HRID 663550Notes

Reaction equation

HRID 663550 reaction equation
[Br:40][c:41]1[cH:42][c:43](-[n:48]2[c:49](-[c:54]3[c:55]([NH:59][C:60](=[O:61])[C:62]([F:63])([F:64])[F:65])[n:56][o:57][n:58]3)[n:50][o:51][c:52]2=[O:53])[cH:44][cH:45][c:46]1[F:47].[CH3:1][O:2][CH2:3][CH2:4][CH2:5][OH:6].[O:26]=[C:27]([O:28][CH:29]([CH3:30])[CH3:31])[N:32]=[N:33][C:34]([O:35][CH:36]([CH3:37])[CH3:38])=[O:39].[O:66]1[CH2:67][CH2:68][CH2:69][CH2:70]1.[c:7]1([P:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][NH:59][c:55]1[c:54](-[c:49]2[n:48](-[c:43]3[cH:42][c:41]([Br:40])[c:46]([F:47])[cH:45][cH:44]3)[c:52](=[O:53])[o:51][n:50]2)[n:58][o:57][n:56]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 741163-Methoxy-1-propanolHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 58755133N-[4-[4-(3-Bromo-4-fluorophenyl)-5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide

Product 1

HCID 666053934-(3-Bromo-4-fluorophenyl)-3-{4-[(3-methoxypropyl)amino]-1,2,5-oxadiazol-3-yl}-1,2,4-oxadiazol-5(4H)-one

Sources & evidence

ORD record
ord-41c8d74a2f24456bbbc2999ccf31a7cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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