Acetone → Trifluoroacetate

HRID 189287Notes

Reaction equation

HRID 189287 reaction equation
[CH2:51]([CH:52]=[CH2:53])[Br:54].[CH3:55][C:56](=[O:57])[CH3:58].[CH3:8][O:9][c:10]1[cH:11][cH:12][c:13]([CH2:16][CH2:17][CH2:18][N:19]([CH2:20][CH2:21][NH:22][C:23](=[O:24])[c:25]2[n:26][c:27]([Cl:33])[c:28]([NH2:32])[n:29][c:30]2[NH2:31])[CH2:34][CH2:35][CH2:36][c:37]2[cH:38][cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]2)[cH:14][cH:15]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50]>>[CH3:8][O:9][c:10]1[cH:11][cH:12][c:13]([CH2:16][CH2:17][CH2:18][N+:19]([CH2:20][CH2:21][NH:22][C:23](=[O:24])[c:25]2[n:26][c:27]([Cl:33])[c:28]([NH2:32])[n:29][c:30]2[NH2:31])([CH2:34][CH2:35][CH2:36][c:37]2[cH:38][cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]2)[CH2:53][CH:52]=[CH2:51])[cH:14][cH:15]1.[F:1][C:2]([C:3](=[O:4])[O-:5])([F:6])[F:7]

Participants

8

Reactant 6

HCID 180AcetoneHCID 923Sodium ion2×HCID 6422Trifluoroacetic acidHCID 7841Allyl bromideHCID 19660Carbonate IonHCID 86656631HCID 86656631, compound

Product 2

HCID 84468TrifluoroacetateHCID 44548506HCID 44548506, compound

Sources & evidence

ORD record
ord-4b4c2859866f4df9acee9af550c6ae31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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