Acetone → HCID 86623421, compound

HRID 185506Notes

Reaction equation

HRID 185506 reaction equation
[CH3:32][C:33](=[O:34])[CH3:35].[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[CH:1]1([NH:6][CH2:7][C:8]([C:9](=[O:10])[O:11][CH3:12])([F:13])[F:14])[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:21][c:22]1[n:23][cH:24][c:25]([N+:29](=[O:30])[O-:31])[c:26]([Cl:28])[n:27]1.[K+:15].[K+:16].[O-:17][C:18]([O-:19])=[O:20]>>[CH:1]1([N:6]([CH2:7][C:8]([C:9](=[O:10])[O:11][CH3:12])([F:13])[F:14])[c:26]2[c:25]([N+:29](=[O:30])[O-:31])[cH:24][n:23][c:22]([Cl:21])[n:27]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 5212662,4-Dichloro-5-nitropyrimidineHCID 67117821Methyl 3-(cyclopentylamino)-2,2-difluoropropanoate

Product 1

HCID 86623421HCID 86623421, compound

Sources & evidence

ORD record
ord-29e5b5bcf64b4f4587a3946979c24b33
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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