Ethanol → 3-oxo-3-(4-(5-oxopyrrolo[4,3,2-de][2,6]naphthyridin-4(1H,3H,5H)-yl)piperidin-1-yl)propanenitrile

HRID 118198Notes

Reaction equation

HRID 118198 reaction equation
[C:27](#[N:28])[CH2:29][C:30](=[O:31])[O:32][N:33]1[C:34](=[O:35])[CH2:36][CH2:37][C:38]1=[O:39].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:40][CH2:41][OH:42].[NH:1]1[CH2:2][CH2:3][CH:4]([N:7]2[C:8](=[O:19])[c:9]3[cH:10][cH:11][n:12][c:13]4[c:14]3[c:15]([cH:17][nH:18]4)[CH2:16]2)[CH2:5][CH2:6]1>>[N:1]1([C:30]([CH2:29][C:27]#[N:28])=[O:31])[CH2:2][CH2:3][CH:4]([N:7]2[C:8](=[O:19])[c:9]3[cH:10][cH:11][n:12][c:13]4[c:14]3[c:15]([cH:17][nH:18]4)[CH2:16]2)[CH2:5][CH2:6]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8471TriethylamineHCID 498416564-(piperidin-4-yl)-3,4-dihydropyrrolo[4,3,2-de][2,6]naphthyridin-5(1H)-oneHCID 534158962,5-Dioxopyrrolidin-1-yl 2-cyanoacetate

Product 1

HCID 498416573-oxo-3-(4-(5-oxopyrrolo[4,3,2-de][2,6]naphthyridin-4(1H,3H,5H)-yl)piperidin-1-yl)propanenitrile

Sources & evidence

ORD record
ord-00c27c88201e474da7adf90ffcb4f65f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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