Hydrochloric Acid → Trifluoroacetic acid

HRID 199271Notes

Reaction equation

HRID 199271 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]2[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[O:21][c:22]3[cH:23][c:24](-[c:28]4[c:29]([NH:34][C:35]([CH3:36])=[O:37])[cH:30][cH:31][cH:32][cH:33]4)[cH:25][cH:26][c:27]32)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:38]([O:39][C:40]([N:41]1[CH2:42][CH2:43][CH:44]([N:45]2[c:46]3[cH:47][cH:48][c:49](-[c:50]4[nH:51][n:52][n:53][n:54]4)[cH:55][c:56]3[O:57][c:58]3[c:59]2[cH:60][cH:61][cH:62][cH:63]3)[CH2:64][CH2:65]1)=[O:66])([CH3:67])([CH3:68])[CH3:69].[CH2:78]([Cl:79])[Cl:80].[ClH:77].[F:70][C:71]([C:72](=[O:73])[OH:74])([F:75])[F:76]>>[F:70][C:71]([C:72](=[O:73])[OH:74])([F:75])[F:76].[NH:8]1[CH2:9][CH2:10][CH:11]([N:14]2[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[O:21][c:22]3[cH:23][c:24](-[c:28]4[c:29]([NH:34][C:35]([CH3:36])=[O:37])[cH:30][cH:31][cH:32][cH:33]4)[cH:25][cH:26][c:27]32)[CH2:12][CH2:13]1

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 59809563HCID 59809563, compoundHCID 178452046HCID 178452046, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 11711042HCID 11711042, compound

Sources & evidence

ORD record
ord-e3360047254f425da7a410b446627e94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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