Chloroform → Trifluoroacetic acid

HRID 1237791Notes

Reaction equation

HRID 1237791 reaction equation
[C:12]([O:13][C:14](=[O:15])[NH:18][C:19]([c:20]1[s:21][c:22]([S:51][CH3:52])[c:23]([S:25](=[O:26])(=[O:27])[c:28]2[cH:29][c:30](-[c:34]3[c:35]([NH:41][C:42]([CH2:43][CH2:44][CH2:45][S:46](=[O:47])(=[O:48])[CH3:49])=[O:50])[cH:36][cH:37][cH:38][c:39]3[CH3:40])[cH:31][cH:32][cH:33]2)[cH:24]1)=[NH:53])([CH3:16])([CH3:17])[CH3:54].[CH:8]([Cl:9])([Cl:10])[Cl:11].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH:18]=[C:19]([c:20]1[s:21][c:22]([S:51][CH3:52])[c:23]([S:25](=[O:26])(=[O:27])[c:28]2[cH:29][c:30](-[c:34]3[c:35]([NH:41][C:42]([CH2:43][CH2:44][CH2:45][S:46](=[O:47])(=[O:48])[CH3:49])=[O:50])[cH:36][cH:37][cH:38][c:39]3[CH3:40])[cH:31][cH:32][cH:33]2)[cH:24]1)[NH2:53]

Participants

5

Reactant 3

HCID 6212ChloroformHCID 6422Trifluoroacetic acidHCID 145857696tert-butyl N-[4-[3-[2-methyl-6-(4-methylsulfonylbutanoylamino)phenyl]phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidoyl]carbamate

Product 2

HCID 6422Trifluoroacetic acidHCID 21057185N-[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylphenyl]-4-methylsulfonylbutanamide

Sources & evidence

ORD record
ord-9e56784e78594ec58a62db45a9e65062
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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