Acetone → HCID 66997674, compound

HRID 2329832Notes

Reaction equation

[CH2:1]([CH:2]=[CH2:3])[n:4]1[c:5]([C:27](=[O:28])[O:29][CH3:30])[c:6]2[c:11]([c:12]([O:15][CH3:16])[c:13]1=[O:14])[C:10](=[O:17])[N:9]([CH2:18][c:19]1[cH:20][c:21]([Cl:26])[c:22]([F:25])[cH:23][cH:24]1)[CH2:8][CH2:7]2.[CH3:31][N+:32]1([O-:33])[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[CH3:40][C:41](=[O:42])[CH3:43].[OH2:39]>>[CH2:1]1[CH:2]([CH2:3][OH:33])[O:29][C:27](=[O:28])[c:5]2[n:4]1[c:13](=[O:14])[c:12]([O:15][CH3:16])[c:11]1[c:6]2[CH2:7][CH2:8][N:9]([CH2:18][c:19]2[cH:20][c:21]([Cl:26])[c:22]([F:25])[cH:23][cH:24]2)[C:10]1=[O:17]

Participants

Reactant 4

HCID 180Acetone

HCID 962Water

HCID 82029Methyl morpholine oxide

HCID 66997792Methyl 2-(allyl)-6-(3-chloro-4-fluorobenzyl)-4-methoxy-3,5-dioxo-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxylate

Product 1

HCID 66997674HCID 66997674, compound

Sources & evidence

ORD record: ord-5c4e94f8afea4b6e80fccfcfee0a6ac3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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