Sodium ion → 3-[2-Methyl-5-nitro-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine

HRID 192034

Reaction equation

HRID 192034 reaction equation
[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[Cl:1][c:2]1[c:3]([N+:20](=[O:21])[O-:22])[c:4]([N:9]2[CH2:10][CH2:11][c:12]3[c:13]([cH:16][cH:17][cH:18][cH:19]3)[CH2:14][CH2:15]2)[n:5][c:6]([CH3:8])[n:7]1.[H-:33].[Na+:34].[n:23]1[cH:24][cH:25][c:26]([CH2:29][CH2:30][CH2:31][OH:32])[cH:27][cH:28]1>>[c:2]1([O:32][CH2:31][CH2:30][CH2:29][c:26]2[cH:25][cH:24][n:23][cH:28][cH:27]2)[c:3]([N+:20](=[O:21])[O-:22])[c:4]([N:9]2[CH2:10][CH2:11][c:12]3[c:13]([cH:16][cH:17][cH:18][cH:19]3)[CH2:14][CH2:15]2)[n:5][c:6]([CH3:8])[n:7]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 729234-PyridinepropanolHCID 166653HydrideHCID 220039033-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine

Product 1

HCID 220040883-[2-Methyl-5-nitro-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine

Sources & evidence

ORD record
ord-d31a2cbdb1254464b100a31fe07f15de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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