Hydrochloric Acid → Trifluoroacetic acid

HRID 1215286Notes

Reaction equation

HRID 1215286 reaction equation
[CH3:42][C:43]#[N:44].[ClH:41].[F:32][C:33]([C:34](=[O:35])[OH:36])([F:37])[F:38].[NH2:1][CH:2]([C:3](=[O:4])[OH:5])[CH2:6][CH2:7][C:8]([NH:9][CH:10]([CH2:11][S:12][CH2:13][C:14]([C:15]([N:16]1[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]1)=[O:22])=[O:23])[C:24]([NH:25][CH2:26][C:27](=[O:28])[OH:29])=[O:30])=[O:31].[NH2:39][OH:40].[OH2:45]>>[F:32][C:33]([C:34](=[O:35])[OH:36])([F:37])[F:38].[NH2:1][CH:2]([C:3](=[O:4])[OH:5])[CH2:6][CH2:7][C:8]([NH:9][CH:10]([CH2:11][S:12][CH2:13][C:14]([C:15]([N:16]1[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]1)=[O:22])=[N:39][OH:40])[C:24]([NH:25][CH2:26][C:27](=[O:28])[OH:29])=[O:30])=[O:31]

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 787HydroxylamineHCID 962WaterHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 10226480HCID 10226480, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 86587154HCID 86587154, compound

Sources & evidence

ORD record
ord-0f3c46a6366548019e4e8255acf181a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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