Hydrochloric Acid → Trifluoroacetate

HRID 1215048Notes

Reaction equation

HRID 1215048 reaction equation
[C:56](#[N:57])[CH3:58].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl:37][c:38]1[cH:39][cH:40][c:41]([S:44](=[O:45])(=[O:46])[Cl:47])[cH:42][cH:43]1.[ClH:1].[F:48][C:49]([C:50](=[O:51])[OH:52])([F:53])[F:54].[OH2:55].[c:2]1(-[c:14]2[n:15][c:16]([NH:20][CH2:21][CH:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[n:17][cH:18][cH:19]2)[cH:3][n:4]2[c:13]3[c:8]([cH:9][cH:10][cH:11][c:12]13)[CH2:7][CH2:6][CH2:5]2>>[F:48][C:49]([C:50](=[O:51])[O-:52])([F:53])[F:54].[c:2]1(-[c:14]2[n:15][c:16]([NH:20][CH2:21][CH:22]3[CH2:23][CH2:24][N:25]([S:44]([c:41]4[cH:40][cH:39][c:38]([Cl:37])[cH:43][cH:42]4)(=[O:45])=[O:46])[CH2:26][CH2:27]3)[n:17][cH:18][cH:19]2)[cH:3][n:4]2[c:13]3[c:8]([cH:9][cH:10][cH:11][c:12]13)[CH2:7][CH2:6][CH2:5]2

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 73984-Chlorobenzenesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 58329553HCID 58329553, compound

Product 2

HCID 84468TrifluoroacetateHCID 58329516HCID 58329516, compound

Sources & evidence

ORD record
ord-26ced8b7c9ee48d791452f1da0ca5a87
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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