4-Methylbenzaldehyde → 4-(4-(((1SR,4SR,7RS)-2-(4-methylbenzyl)-2-azabicyclo[2.2.1]heptan-7-yl)amino)phenyl)-1,2,5-oxadiazol-3-amine

HRID 2341522Notes

Reaction equation

HRID 2341522 reaction equation
[CH3:21][c:22]1[cH:23][cH:24][c:25]([CH:26]=[O:27])[cH:28][cH:29]1.[CH:1]12[NH:2][CH2:3][CH:4]([CH2:5][CH2:6]1)[CH:7]2[NH:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[c:16]([NH2:20])[n:17][o:18][n:19]2)[cH:13][cH:14]1>>[CH:1]12[N:2]([CH2:26][c:25]3[cH:24][cH:23][c:22]([CH3:21])[cH:29][cH:28]3)[CH2:3][CH:4]([CH2:5][CH2:6]1)[CH:7]2[NH:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[c:16]([NH2:20])[n:17][o:18][n:19]2)[cH:13][cH:14]1

Participants

3

Reactant 2

HCID 77254-MethylbenzaldehydeHCID 672356774-(4-((1SR,4SR,7RS)-2-azabicyclo[2.2.1]heptan-7-ylamino)phenyl)-1,2,5-oxadiazol-3-amine

Product 1

HCID 532470544-(4-(((1SR,4SR,7RS)-2-(4-methylbenzyl)-2-azabicyclo[2.2.1]heptan-7-yl)amino)phenyl)-1,2,5-oxadiazol-3-amine

Sources & evidence

ORD record
ord-6af0f966b6134a19be26e4645b70782c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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