Acetone → HCID 21517974, compound

HRID 2126907Notes

Reaction equation

HRID 2126907 reaction equation
[CH3:36][C:37]([CH3:38])=[O:39].[Cl:1][c:2]1[n:3][c:4]([CH3:17])[c:5]([N+:14](=[O:15])[O-:16])[c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1.[NH:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[O:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1.[OH2:18].[OH2:19].[OH2:20].[OH2:21].[OH2:22].[OH2:23]>>[c:2]1([N:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]2)[n:3][c:4]([CH3:17])[c:5]([N+:14](=[O:15])[O-:16])[c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 962Water6×HCID 4837PiperazineHCID 312751,4-DioxaneHCID 71472834-(2-Chloro-6-methyl-5-nitro-4-pyrimidinyl)morpholine

Product 1

HCID 21517974HCID 21517974, compound

Sources & evidence

ORD record
ord-fe89e3925d45407cb87c955b8f30e9e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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