Hydrochloric Acid → N-ethyl-4-(4-((6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-3-yl)methyl)piperazin-1-yl)benzamide

HRID 2138176Notes

Reaction equation

HRID 2138176 reaction equation
[CH2:32]([CH3:33])[N:34]([CH:35]([CH3:36])[CH3:37])[CH:38]([CH3:39])[CH3:40].[CH2:42]([NH2:43])[CH3:44].[ClH:41].[O:1]=[C:2]1[CH:3]2[N:4]([c:5]3[c:6]([cH:8][c:9]([CH2:12][N:13]4[CH2:14][CH2:15][N:16]([c:19]5[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]5)[CH2:17][CH2:18]4)[cH:10][n:11]3)[NH:7]1)[CH2:28][CH2:29][CH2:30][CH2:31]2.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[O:1]=[C:2]1[CH:3]2[N:4]([c:5]3[c:6]([cH:8][c:9]([CH2:12][N:13]4[CH2:14][CH2:15][N:16]([c:19]5[cH:20][cH:21][c:22]([C:23](=[O:25])[NH:34][CH2:32][CH3:33])[cH:26][cH:27]5)[CH2:17][CH2:18]4)[cH:10][n:11]3)[NH:7]1)[CH2:28][CH2:29][CH2:30][CH2:31]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6341EthylamineHCID 81531DiisopropylethylamineHCID 66776532HCID 66776532, compound

Product 1

HCID 58324389N-ethyl-4-(4-((6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-3-yl)methyl)piperazin-1-yl)benzamide

Sources & evidence

ORD record
ord-a7c217c35687450d88f2129f0c92aaef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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