Hydrochloric Acid → Trifluoroacetate

HRID 1543822Notes

Reaction equation

HRID 1543822 reaction equation
[C:37]([C:38]([CH3:39])([CH3:40])[CH3:41])(=[O:42])[Cl:43].[C:52](#[N:53])[CH3:54].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[ClH:1].[F:44][C:45]([C:46](=[O:47])[OH:48])([F:49])[F:50].[OH2:51].[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:44][C:45]([C:46](=[O:47])[O-:48])([F:49])[F:50].[c:2]1(-[c:14]2[n:15][c:16]([NH:20][CH2:21][CH:22]3[CH2:23][CH2:24][N:25]([C:37]([C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[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 62493Pivaloyl chlorideHCID 81531DiisopropylethylamineHCID 58329553HCID 58329553, compound

Product 2

HCID 84468TrifluoroacetateHCID 67250344HCID 67250344, compound

Sources & evidence

ORD record
ord-ebb02cf6d5b54b469dd4c44dc8c11110
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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