Bicarbonate Ion → N-(cyanomethyl)-4-methyl-2-{[4'-(1-piperazinyl)[1,1'-biphenyl]-4-yl]methoxy}pentanamide

HRID 939265Notes

Reaction equation

HRID 939265 reaction equation
[C:1](#[N:2])[CH2:3][NH:4][C:5](=[O:6])[CH:7]([CH2:8][CH:9]([CH3:10])[CH3:11])[O:12][CH2:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[cH:21][cH:22][c:23]([N:26]3[CH2:27][CH2:28][N:29]([C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:30][CH2:31]3)[cH:24][cH:25]2)[cH:18][cH:19]1.[C:60](=[O:61])([OH:62])[O-:63].[CH2:54]([O:55][C:56](=[O:57])[CH3:58])[CH3:59].[CH3:39][S:40](=[O:41])(=[O:42])[OH:43].[CH3:49][CH2:50][O:51][CH2:52][CH3:53].[Na+:64].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[C:1](#[N:2])[CH2:3][NH:4][C:5](=[O:6])[CH:7]([CH2:8][CH:9]([CH3:10])[CH3:11])[O:12][CH2:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[cH:21][cH:22][c:23]([N:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[cH:24][cH:25]2)[cH:18][cH:19]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 3283Diethyl EtherHCID 6395Methanesulfonic AcidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 22235855Tert-butyl 4-{4'-[(1-{[(cyanomethyl)amino]carbonyl}-3-methylbutoxy)methyl][1,1'-biphenyl]-4-yl}-1-piperazinecarboxylate

Product 1

HCID 10273670N-(cyanomethyl)-4-methyl-2-{[4'-(1-piperazinyl)[1,1'-biphenyl]-4-yl]methoxy}pentanamide

Sources & evidence

ORD record
ord-18d7fbcdb24644a098ecb4f8d352cd19
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

Loading…