Dimethyl Sulfoxide → Trifluoroacetic acid

HRID 148016Notes

Reaction equation

HRID 148016 reaction equation
[CH3:40][CH:41]1[NH:42][CH2:43][CH2:44][NH:45][CH2:46]1.[CH3:63][S:64]([CH3:65])=[O:66].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[Cl:8][c:9]1[n:10][c:11]([NH:33][c:34]2[n:35][cH:36][n:37][cH:38][cH:39]2)[c:12]2[c:13]([n:14]1)[c:15]([CH2:26][N:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1)[n:16][n:17]2[CH2:18][CH2:19][O:20][CH2:21][C:22]([F:23])([F:24])[F:25].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[OH:56][C:57]([C:58]([F:59])([F:60])[F:61])=[O:62]>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[c:9]1([N:45]2[CH2:44][CH2:43][NH:42][CH:41]([CH3:40])[CH2:46]2)[n:10][c:11]([NH:33][c:34]2[n:35][cH:36][n:37][cH:38][cH:39]2)[c:12]2[c:13]([n:14]1)[c:15]([CH2:26][N:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1)[n:16][n:17]2[CH2:18][CH2:19][O:20][CH2:21][C:22]([F:23])([F:24])[F:25]

Participants

7

Reactant 5

HCID 679Dimethyl SulfoxideHCID 6422Trifluoroacetic acid2×HCID 660572-MethylpiperazineHCID 81531DiisopropylethylamineHCID 57794422HCID 57794422, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178430143HCID 178430143, compound

Sources & evidence

ORD record
ord-b39bf5570a294f2b907442d8df63bfb0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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