Propionic Acid → 4-(4-ethyl-1-propionylpiperidin-4-yl)-3,4-dihydropyrrolo[4,3,2-de][2,6]naphthyridin-5(1H)-one

HRID 175218Notes

Reaction equation

HRID 175218 reaction equation
[CH2:1]([CH3:2])[C:3]1([N:9]2[C:10](=[O:21])[c:11]3[cH:12][cH:13][n:14][c:15]4[c:16]3[c:17]([cH:19][nH:20]4)[CH2:18]2)[CH2:4][CH2:5][NH:6][CH2:7][CH2:8]1.[CH3:22][CH2:23][C:24]([OH:25])=[O:26].[CH3:51][N:52]([CH3:53])[c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH2:1]([CH3:2])[C:3]1([N:9]2[C:10](=[O:21])[c:11]3[cH:12][cH:13][n:14][c:15]4[c:16]3[c:17]([cH:19][nH:20]4)[CH2:18]2)[CH2:4][CH2:5][N:6]([C:24]([CH2:23][CH3:22])=[O:25])[CH2:7][CH2:8]1

Participants

7

Reactant 6

HCID 1032Propionic AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 142844-(Dimethylamino)pyridineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 49841776HCID 49841776, compound

Product 1

HCID 498419014-(4-ethyl-1-propionylpiperidin-4-yl)-3,4-dihydropyrrolo[4,3,2-de][2,6]naphthyridin-5(1H)-one

Sources & evidence

ORD record
ord-d3d57304402a47fd84943e99133f792b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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