Potassium Cation → 6-(4-(Aminomethyl)phenyl)-1-(cyclohexylmethyl)-1H-imidazo[4,5-B]pyrazin-2(3H)-one

HRID 310662Notes

Reaction equation

HRID 310662 reaction equation
[Br:33][c:34]1[n:35][c:36]2[n:37]([CH2:38][CH:39]3[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]3)[c:45](=[O:46])[nH:47][c:48]2[n:49][cH:50]1.[C:51]([NH:52][CH2:53][c:54]1[cH:55][cH:56][c:57]([B:58]([OH:59])[OH:60])[cH:61][cH:62]1)([O:63][C:64]([CH3:65])([CH3:66])[CH3:67])=[O:68].[CH:1]1([CH2:7][n:8]2[c:9](=[O:32])[nH:10][c:11]3[n:12][cH:13][c:14](-[c:17]4[cH:18][cH:19][c:20]([CH2:21][NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:30][cH:31]4)[n:15][c:16]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[K+:74].[K+:75].[K+:76].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH2:82].[P:69]([O-:70])([O-:71])([O-:72])=[O:73]>>[CH:1]1([CH2:7][n:8]2[c:9](=[O:32])[nH:10][c:11]3[n:12][cH:13][c:14](-[c:17]4[cH:18][cH:19][c:20]([CH2:21][NH2:22])[cH:30][cH:31]4)[n:15][c:16]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 6228DimethylformamideHCID 38631634-(tert-Butoxycarbonylaminomethyl)phenylboronic acidHCID 866263916-Bromo-1-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2(3H)-oneHCID 86626393tert-Butyl 4-(3-(cyclohexylmethyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyrazin-5-yl)benzylcarbamate

Product 1

HCID 573943616-(4-(Aminomethyl)phenyl)-1-(cyclohexylmethyl)-1H-imidazo[4,5-B]pyrazin-2(3H)-one

Sources & evidence

ORD record
ord-ad4c6b1d8f9b4cd19c572f8b537f6802
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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