Methanesulfonic Acid → Methanesulfonic Acid

HRID 944240Notes

Reaction equation

HRID 944240 reaction equation
[CH3:45][S:46]([OH:47])(=[O:48])=[O:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[F:1][c:2]1[c:3]([CH2:40][CH2:41][C:42](=[O:43])[OH:44])[cH:4][cH:5][c:6]([NH:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][n:17]3[n:18][c:19](-[c:30]4[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]4)[cH:20][c:21]3[CH2:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:14][cH:15]2)[cH:7]1>>[CH3:45][S:46](=[O:47])(=[O:48])[OH:49].[F:1][c:2]1[c:3]([CH2:40][CH2:41][C:42](=[O:43])[OH:44])[cH:4][cH:5][c:6]([NH:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][n:17]3[n:18][c:19](-[c:30]4[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]4)[cH:20][c:21]3[CH2:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:14][cH:15]2)[cH:7]1

Participants

5

Reactant 3

HCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 231574013-(2-fluoro-4-{[4-({5-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-1-yl}methyl)benzyl]amino}phenyl)propanoic acid

Product 2

HCID 6395Methanesulfonic AcidHCID 231574013-(2-fluoro-4-{[4-({5-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-1-yl}methyl)benzyl]amino}phenyl)propanoic acid

Sources & evidence

ORD record
ord-9e7d24d68b184d09a0e9cf6861e1291a
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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