Chloroform → Trifluoroacetic acid

HRID 208320Notes

Reaction equation

HRID 208320 reaction equation
[C:12]([O:13][C:14](=[O:15])[NH:18][C:19]([c:20]1[s:21][c:22]([S:55][CH3:56])[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][NH:46][S:47](=[O:48])(=[O:49])[C:50]([F:51])([F:52])[F:53])=[O:54])[cH:36][cH:37][cH:38][c:39]3[CH3:40])[cH:31][cH:32][cH:33]2)[cH:24]1)=[NH:57])([CH3:16])([CH3:17])[CH3:58].[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:55][CH3:56])[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][NH:46][S:47](=[O:48])(=[O:49])[C:50]([F:51])([F:52])[F:53])=[O:54])[cH:36][cH:37][cH:38][c:39]3[CH3:40])[cH:31][cH:32][cH:33]2)[cH:24]1)[NH2:57]

Participants

5

Reactant 3

HCID 6212ChloroformHCID 6422Trifluoroacetic acidHCID 145857667CID 145857667

Product 2

HCID 6422Trifluoroacetic acidHCID 21057186N-[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylphenyl]-4-(trifluoromethylsulfonylamino)butanamide

Sources & evidence

ORD record
ord-522714053cd94147bfacad7b8b62d3f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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