Bicarbonate Ion → N-(cyanomethyl)-4-methyl-2-{[4'-(1-piperazinyl)[1,1'-biphenyl]-3-yl]oxy}pentanamide

HRID 2146489Notes

Reaction equation

HRID 2146489 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][c:13]1[cH:14][c:15](-[c:19]2[cH:20][cH:21][c:22]([N:25]3[CH2:26][CH2:27][N:28]([C:31]([O:32][Si:33]([CH:34]([CH3:35])[CH3:36])([CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42])=[O:43])[CH2:29][CH2:30]3)[cH:23][cH:24]2)[cH:16][cH:17][cH:18]1.[C:79](=[O:80])([OH:81])[O-:82].[CH3:45][CH2:46][CH2:47][CH2:48][N+:49]([CH2:50][CH2:51][CH2:52][CH3:53])([CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH3:61].[CH3:67][CH2:68][O:69][CH2:70][CH3:71].[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[F-:44].[Na+:83].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1.[OH2:78]>>[C:1](#[N:2])[CH2:3][NH:4][C:5](=[O:6])[CH:7]([CH2:8][CH:9]([CH3:10])[CH3:11])[O:12][c:13]1[cH:14][c:15](-[c:19]2[cH:20][cH:21][c:22]([N:25]3[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]3)[cH:23][cH:24]2)[cH:16][cH:17][cH:18]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 10282346Triisopropylsilyl 4-[3'-(1-{[(cyanomethyl)amino]carbonyl}-3-methylbutoxy)[1,1'-biphenyl]-4-yl]-1-piperazinecarboxylate

Product 1

HCID 10272735N-(cyanomethyl)-4-methyl-2-{[4'-(1-piperazinyl)[1,1'-biphenyl]-3-yl]oxy}pentanamide

Sources & evidence

ORD record
ord-c40013eced264b80aa7ed5fde64f5351
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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