Acetone → HCID 178476479, compound

HRID 2314481Notes

Reaction equation

HRID 2314481 reaction equation
[C:28](=[O:29])([OH:30])[O-:31].[C:33]([CH3:34])(=[O:35])[O:36][CH2:37][C:38](=[O:39])[Cl:40].[CH3:41][C:42](=[O:43])[CH3:44].[ClH:1].[NH:2]1[CH2:3][CH:4]=[C:5]([c:8]2[c:9]([F:27])[cH:10][c:11]([N:15]3[C:16](=[O:26])[O:17][CH:18]([CH2:20][n:21]4[n:22][n:23][cH:24][cH:25]4)[CH2:19]3)[cH:12][c:13]2[F:14])[CH2:6][CH2:7]1.[Na+:32].[OH2:45]>>[N:2]1([C:38]([CH2:37][O:36][C:33]([CH3:34])=[O:35])=[O:39])[CH2:3][CH:4]=[C:5]([c:8]2[c:9]([F:27])[cH:10][c:11]([N:15]3[C:16](=[O:26])[O:17][CH:18]([CH2:20][n:21]4[n:22][n:23][cH:24][cH:25]4)[CH2:19]3)[cH:12][c:13]2[F:14])[CH2:6][CH2:7]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 26297Acetoxyacetyl chlorideHCID 178519166HCID 178519166, compound

Product 1

HCID 178476479HCID 178476479, compound

Sources & evidence

ORD record
ord-c9895c42a4354ae0bc472efca9d402b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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