Acetone → HCID 54239031, compound

HRID 1212793Notes

Reaction equation

HRID 1212793 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:40])[c:6]([CH2:37][CH2:38][CH3:39])[c:7]([O:8][CH2:9][CH:10]([CH2:11][O:12][c:13]2[c:14]([CH2:31][CH2:32][CH3:33])[c:15]3[c:16]([c:17](=[O:28])[cH:18][c:19]([CH:21]=[CH:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[o:20]3)[cH:29][cH:30]2)[OH:34])[cH:35][cH:36]1.[C:41](=[O:42])([O-:43])[OH:44].[C:46]([Cl:47])([Cl:48])([Cl:49])[Cl:50].[CH3:51][C:52]([CH3:53])=[O:54].[CH3:55][CH2:56][OH:57].[Na+:45]>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:40])[c:6]([CH2:37][CH2:38][CH3:39])[c:7]([O:8][CH2:9][CH:10]([CH2:11][O:12][c:13]2[c:14]([CH2:31][CH2:32][CH3:33])[c:15]3[c:16]([c:17](=[O:28])[cH:18][c:19]([CH:21]=[CH:22][C:23](=[O:24])[OH:25])[o:20]3)[cH:29][cH:30]2)[OH:34])[cH:35][cH:36]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 5943Carbon TetrachlorideHCID 54165043HCID 54165043, compound

Product 1

HCID 54239031HCID 54239031, compound

Sources & evidence

ORD record
ord-37d16f7cb24242b495e207802e734d89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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