Acetone → HCID 58247411, compound

HRID 195243Notes

Reaction equation

HRID 195243 reaction equation
[CH2:17]([CH3:18])[O:19][C:20]([c:21]1[cH:22][cH:23][c:24]([OH:27])[cH:25][cH:26]1)=[O:28].[CH3:29][C:30](=[O:31])[CH3:32].[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([Cl:8])[n:7]1.[Na+:16].[O-:12][C:13]([OH:14])=[O:15]>>[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([O:27][c:24]2[cH:23][cH:22][c:21]([C:20]([O:19][CH2:17][CH3:18])=[O:28])[cH:26][cH:25]2)[n:7]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8434EthylparabenHCID 5212662,4-Dichloro-5-nitropyrimidine

Product 1

HCID 58247411HCID 58247411, compound

Sources & evidence

ORD record
ord-76de5224d123431dabf76142e276e00c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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