Dichloromethane → Trifluoroacetic acid

HRID 2338785Notes

Reaction equation

HRID 2338785 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][NH:10][C:11](=[O:12])[NH:13][c:14]1[cH:15][c:16]([CH3:46])[c:17](-[c:20]2[cH:21][c:22]([S:26](=[O:27])(=[O:28])[c:29]3[c:30]([S:44][CH3:45])[s:31][c:32]([C:34](=[NH:35])[NH:36][C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[cH:33]3)[cH:23][cH:24][cH:25]2)[cH:18][cH:19]1)=[O:47].[Cl:55][CH2:56][Cl:57].[F:48][C:49]([C:50](=[O:51])[OH:52])([F:53])[F:54]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][NH:10][C:11](=[O:12])[NH:13][c:14]1[cH:15][c:16]([CH3:46])[c:17](-[c:20]2[cH:21][c:22]([S:26](=[O:27])(=[O:28])[c:29]3[c:30]([S:44][CH3:45])[s:31][c:32]([C:34](=[NH:35])[NH2:36])[cH:33]3)[cH:23][cH:24][cH:25]2)[cH:18][cH:19]1)=[O:47].[F:48][C:49]([C:50](=[O:51])[OH:52])([F:53])[F:54]

Participants

5

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 145857680ethyl 6-[[3-methyl-4-[3-[5-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-2-methylsulfanylthiophen-3-yl]sulfonylphenyl]phenyl]carbamoylamino]hexanoate

Product 2

HCID 6422Trifluoroacetic acidHCID 21057169Ethyl 6-[[4-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylphenyl]carbamoylamino]hexanoate

Sources & evidence

ORD record
ord-0d2457d0c2084026b0ac05e2ab41e212
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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