Acetone → HCID 17958793, compound

HRID 214028Notes

Reaction equation

HRID 214028 reaction equation
[C:47](=[O:48])([O-:49])[OH:50].[CH3:52][C:53](=[O:54])[CH3:55].[F:1][C:2]([F:3])([F:4])[C:5]([O-:6])=[O:7].[F:8][c:9]1[cH:10][cH:11][c:12]([CH:15]([CH2:16][C:17](=[O:18])[OH:19])[c:20]2[cH:21][nH:22][c:23]3[cH:24][c:25]([O:29][CH2:30][CH2:31][CH2:32][N:33]([CH2:34][c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[c:41]4[nH+:42][cH:43][cH:44][cH:45][cH:46]4)[cH:26][cH:27][c:28]23)[cH:13][cH:14]1.[Na+:51]>>[F:8][c:9]1[cH:10][cH:11][c:12]([CH:15]([CH2:16][C:17](=[O:18])[OH:19])[c:20]2[cH:21][nH:22][c:23]3[cH:24][c:25]([O:29][CH2:30][CH2:31][CH2:32][NH:33][c:41]4[n:42][cH:43][cH:44][cH:45][cH:46]4)[cH:26][cH:27][c:28]23)[cH:13][cH:14]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 84468TrifluoroacetateHCID 178525315HCID 178525315, compound

Product 1

HCID 17958793HCID 17958793, compound

Sources & evidence

ORD record
ord-952f25e9891c49cb887a55fb1cef3be5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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