Ammonium → 1-(2-Methoxy pyridine-3-yl)-3-(4-nitrophenyl)propane-1,3-dione

HRID 1544261Notes

Reaction equation

HRID 1544261 reaction equation
[CH2:19]([O:20][C:21]([Cl:22])=[O:23])[CH3:24].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:12][N:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][cH:10][n:11]1.[CH3:37][Si:38]([N-:39][Si:40]([CH3:41])([CH3:42])[CH3:43])([CH3:44])[CH3:45].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cl-:47].[Li+:46].[N+:25](=[O:26])([O-:27])[c:28]1[cH:29][cH:30][c:31]([C:34]([CH3:35])=[O:36])[cH:32][cH:33]1.[NH4+:48].[OH2:60]>>[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:7])[CH2:35][C:34]([c:31]2[cH:30][cH:29][c:28]([N+:25](=[O:26])[O-:27])[cH:33][cH:32]2)=[O:36])[cH:8][cH:9][cH:10][n:11]1

Participants

12

Reactant 11

HCID 223AmmoniumHCID 312ChlorideHCID 962WaterHCID 7487p-NitroacetophenoneHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 10928Ethyl chloroformateHCID 28486Lithium ionHCID 7080932-Methoxynicotinic acidHCID 3280088Npc316347

Product 1

HCID 666501871-(2-Methoxy pyridine-3-yl)-3-(4-nitrophenyl)propane-1,3-dione

Sources & evidence

ORD record
ord-27874ac82e434ec18bc5714d929297b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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