Hydrochloric Acid → N-{trans-4-[2-(4-Furo[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-propionamide

HRID 677067Notes

Reaction equation

HRID 677067 reaction equation
[B-:42]([F:43])([F:44])([F:45])[F:46].[CH3:28][CH2:29][C:30]([OH:31])=[O:32].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[ClH:1].[ClH:2].[ClH:3].[Na+:68].[O-:64][C:65]([OH:66])=[O:67].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1.[o:4]1[cH:5][cH:6][c:7]2[c:8]([N:13]3[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][CH:21]4[CH2:22][CH2:23][CH:24]([NH2:27])[CH2:25][CH2:26]4)[CH2:17][CH2:18]3)[n:9][cH:10][cH:11][c:12]12>>[o:4]1[cH:5][cH:6][c:7]2[c:8]([N:13]3[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][CH:21]4[CH2:22][CH2:23][CH:24]([NH:27][C:30]([CH2:29][CH3:28])=[O:31])[CH2:25][CH2:26]4)[CH2:17][CH2:18]3)[n:9][cH:10][cH:11][c:12]12

Participants

10

Reactant 9

HCID 313Hydrochloric Acid3×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1032Propionic AcidHCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 585673194-[2-(4-Furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine

Product 1

HCID 54768828N-{trans-4-[2-(4-Furo[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-propionamide

Sources & evidence

ORD record
ord-156993cd5b614686adc743cb2349738f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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