Bicarbonate Ion → 1-(6-Bromopyridin-2-yl)-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

HRID 1564203Notes

Reaction equation

HRID 1564203 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH:8]=[O:9])[n:7]1.[C:20]([O:21][BH-:22]([O:23][C:24](=[O:25])[CH3:26])[O:27][C:28](=[O:29])[CH3:30])(=[O:31])[CH3:32].[C:34](=[O:35])([OH:36])[O-:37].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH:10]([CH3:11])([CH3:12])[c:13]1[n:14][o:15][c:16]([CH2:18][NH2:19])[n:17]1.[Cl:45][CH:46]([Cl:47])[CH3:48].[Na+:33].[Na+:38].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44]>>[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:8][NH:19][CH2:18][c:16]2[o:15][n:14][c:13]([CH:10]([CH3:11])[CH3:12])[n:17]2)[n:7]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ion4×HCID 63651,1-DichloroethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 2724942TriacetoxyborohydrideHCID 27570096-Bromopyridine-2-carbaldehydeHCID 280631563-(1-Methylethyl)-1,2,4-oxadiazole-5-methanamine

Product 1

HCID 595257901-(6-Bromopyridin-2-yl)-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

Sources & evidence

ORD record
ord-958239782b1d4a38864d049d98a1cdf6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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