Hydrochloric Acid → Trifluoroacetate

HRID 1549993Notes

Reaction equation

HRID 1549993 reaction equation
[C:54](#[N:55])[CH3:56].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[ClH:1].[F:46][C:47]([C:48](=[O:49])[OH:50])([F:51])[F:52].[N:37](=[C:38]=[O:39])[CH2:40][C:41](=[O:42])[O:43][CH2:44][CH3:45].[OH2:53].[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:46][C:47]([C:48](=[O:49])[O-:50])([F:51])[F:52].[c:2]1(-[c:14]2[n:15][c:16]([NH:20][CH2:21][CH:22]3[CH2:23][CH2:24][N:25]([C:38]([NH:37][CH2:40][C:41](=[O:42])[O:43][CH2:44][CH3:45])=[O:39])[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 76283Ethyl isocyanatoacetateHCID 81531DiisopropylethylamineHCID 58329553HCID 58329553, compound

Product 2

HCID 84468TrifluoroacetateHCID 67249067HCID 67249067, compound

Sources & evidence

ORD record
ord-aabee25d82e541238eedc94bbc1e1d42
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…