Dimethylformamide → 3-[5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]benzonitrile

HRID 136002Notes

Reaction equation

HRID 136002 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([c:13]2[n:14][c:15](-[c:18]3[cH:19][c:20]([C:24]#[N:25])[cH:21][cH:22][cH:23]3)[n:16][o:17]2)[CH:10]=[CH:11][CH2:12]1)([CH3:5])([CH3:6])[CH3:7].[C:26]([O:27][C:28]([N:29]1[CH2:30][CH:31]=[CH:32][CH:33]1[C:34]([OH:35])=[O:36])=[O:37])([CH3:38])([CH3:39])[CH3:40].[C:56]([c:57]1[cH:58][c:59]([C:63]([NH:64][OH:65])=[NH:66])[cH:60][cH:61][cH:62]1)#[N:67].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[Cl:41][C:42]([O:43][CH2:44][CH:45]([CH3:46])[CH3:47])=[O:48].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77]>>[NH:8]1[CH:9]([c:13]2[n:14][c:15](-[c:18]3[cH:19][c:20]([C:24]#[N:25])[cH:21][cH:22][cH:23]3)[n:16][o:17]2)[CH:10]=[CH:11][CH2:12]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 62365Isobutyl chloroformateHCID 35044831-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acidHCID 69619352Tert-butyl 2-[3-(3-cyanophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dihydropyrrole-1-carboxylateHCID 178509779HCID 178509779, compound

Product 1

HCID 220327463-[5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]benzonitrile

Sources & evidence

ORD record
ord-77f47364e1f9423d83aa0e5dfa763846
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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