Hydrochloric Acid → Trifluoroacetic acid

HRID 1138768Notes

Reaction equation

HRID 1138768 reaction equation
[C:37]([CH3:38])([O:39][CH2:40][CH3:41])=[NH:42].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][CH2:51][OH:52].[Cl:8][c:9]1[cH:10][cH:11][c:12]([C:13](=[O:14])[N:15]2[CH2:16][C:17](=[O:33])[N:18]([CH2:26][CH:27]3[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]3)[c:19]3[c:20]([cH:22][cH:23][cH:24][cH:25]3)[CH2:21]2)[cH:34][cH:35]1.[ClH:36].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]>>[Cl:8][c:9]1[cH:10][cH:11][c:12]([C:13](=[O:14])[N:15]2[CH2:16][C:17](=[O:33])[N:18]([CH2:26][CH:27]3[CH2:28][CH2:29][N:30]([C:37]([CH3:38])=[NH:42])[CH2:31][CH2:32]3)[c:19]3[c:20]([cH:22][cH:23][cH:24][cH:25]3)[CH2:21]2)[cH:34][cH:35]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 65066Ethyl acetimidateHCID 22632324HCID 22632324, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 22632629HCID 22632629, compound

Sources & evidence

ORD record
ord-5e452bc155f44b448b5b55f041e634e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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