Hydrochloric Acid → Trifluoroacetic acid

HRID 1123247Notes

Reaction equation

HRID 1123247 reaction equation
[CH3:45][OH:46].[CH3:47][O-:48].[ClH:42].[F:35][C:36]([C:37](=[O:38])[OH:39])([F:40])[F:41].[NH2:43][OH:44].[Na+:49].[O:1]=[S:2]1(=[O:34])[CH2:3][CH2:4][CH:5]([c:12]2[cH:13][cH:14][c:15]([C:16](=[O:17])[NH:18][CH:19]3[CH:20]([C:28](=[O:29])[O:30][CH3:31])[CH2:21][C:22]4([CH2:23][CH2:24][CH2:25][O:26]4)[CH2:27]3)[cH:32][cH:33]2)[c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2>>[F:35][C:36]([C:37](=[O:38])[OH:39])([F:40])[F:41].[O:1]=[S:2]1(=[O:34])[CH2:3][CH2:4][CH:5]([c:12]2[cH:13][cH:14][c:15]([C:16](=[O:17])[NH:18][CH:19]3[CH:20]([C:28](=[O:29])[NH:43][OH:44])[CH2:21][C:22]4([CH2:23][CH2:24][CH2:25][O:26]4)[CH2:27]3)[cH:32][cH:33]2)[c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 787HydroxylamineHCID 887MethanolHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 3826051MethoxideHCID 178496929HCID 178496929, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178521721HCID 178521721, compound

Sources & evidence

ORD record
ord-c6a9ec7ceafd40c39ab77b087b612114
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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