Hydrochloric Acid → Trifluoroacetic acid

HRID 173597Notes

Reaction equation

HRID 173597 reaction equation
[CH3:54][CH2:55][OH:56].[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:8][c:9]1[n:10][cH:11][n:12](-[c:14]2[c:15]([O:39][CH3:40])[cH:16][c:17]([NH:20][c:21]3[n:22][n:23]4[c:24]([n:38]3)[CH:25]([c:31]3[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]3)[CH2:26][C:27](=[O:30])[CH2:28][CH2:29]4)[cH:18][cH:19]2)[cH:13]1.[ClH:41].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[O:42]([CH3:43])[NH2:44]>>[Cl:8][c:9]1[n:10][cH:11][n:12](-[c:14]2[c:15]([O:39][CH3:40])[cH:16][c:17]([NH:20][c:21]3[n:22][n:23]4[c:24]([n:38]3)[CH:25]([c:31]3[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]3)[CH2:26][C:27](=[N:44][O:42][CH3:43])[CH2:28][CH2:29]4)[cH:18][cH:19]2)[cH:13]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 4113O-MethylhydroxylamineHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 58110014HCID 58110014, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 87181658HCID 87181658, compound

Sources & evidence

ORD record
ord-9e53244fa3014c68ba41ff7bdc776782
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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