Bicarbonate Ion → N-((5-(4-(benzyloxy)phenyl)-1,3,4-oxadiazol-2-yl)methyl)-7-(3-fluorophenoxy)-2-hydroxyheptanamide

HRID 1208765Notes

Reaction equation

HRID 1208765 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[n:16][n:17][c:18]([CH2:20][NH2:21])[o:19]2)[cH:13][cH:14]1.[CH3:40][N:41]([CH3:42])[CH2:43][CH2:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH3:50].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[F:22][c:23]1[cH:24][c:25]([O:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH:32]([C:33](=[O:34])[OH:35])[OH:36])[cH:37][cH:38][cH:39]1.[Na+:79].[O-:75][C:76]([OH:77])=[O:78].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH:60][n:61]1[c:62]2[c:63]([cH:64][cH:65][cH:66][cH:67]2)[n:68][n:69]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[n:16][n:17][c:18]([CH2:20][NH:21][C:33]([CH:32]([CH2:31][CH2:30][CH2:29][CH2:28][CH2:27][O:26][c:25]3[cH:24][c:23]([F:22])[cH:39][cH:38][cH:37]3)[OH:36])=[O:34])[o:19]2)[cH:13][cH:14]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 66821964(5-(4-(Benzyloxy)phenyl)-1,3,4-oxadiazol-2-yl)methanamineHCID 668222077-(3-Fluorophenoxy)-2-hydroxyheptanoic acid

Product 1

HCID 66821935N-((5-(4-(benzyloxy)phenyl)-1,3,4-oxadiazol-2-yl)methyl)-7-(3-fluorophenoxy)-2-hydroxyheptanamide

Sources & evidence

ORD record
ord-810f4d9b716249aa9d0a98aeeb9b3e34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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