Acetonitrile → Tert-butyl 4-[({4-[4-(3-bromo-4-fluorophenyl)-5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl}amino)carbonyl]-4-phenylpiperidine-1-carboxylate

HRID 2157754

Reaction equation

HRID 2157754 reaction equation
[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[N:28]1[CH2:29][CH2:30][C:31]([C:34](=[O:35])[OH:36])([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH2:32][CH2:33]1.[CH3:48][N:49]([CH3:50])[c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1.[CH3:57][C:58]#[N:59].[NH2:1][c:2]1[c:3](-[c:7]2[n:8][o:9][c:10](=[O:20])[n:11]2-[c:12]2[cH:13][c:14]([Br:19])[c:15]([F:18])[cH:16][cH:17]2)[n:4][o:5][n:6]1.[P:43]([Cl:44])([Cl:45])([Cl:46])=[O:47]>>[NH:1]([c:2]1[c:3](-[c:7]2[n:8][o:9][c:10](=[O:20])[n:11]2-[c:12]2[cH:13][c:14]([Br:19])[c:15]([F:18])[cH:16][cH:17]2)[n:4][o:5][n:6]1)[C:34]([C:31]1([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH2:30][CH2:29][N:28]([C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[CH2:33][CH2:32]1)=[O:35]

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 142844-(Dimethylamino)pyridineHCID 24813Phosphorus oxychlorideHCID 7369171-((Tert-butoxy)carbonyl)-4-phenylpiperidine-4-carboxylic acidHCID 591483883-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one

Product 1

HCID 67437074Tert-butyl 4-[({4-[4-(3-bromo-4-fluorophenyl)-5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl}amino)carbonyl]-4-phenylpiperidine-1-carboxylate

Sources & evidence

ORD record
ord-168251c957f34ce5a2df75df55b44294
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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