Methanesulfonic Acid → Methanesulfonic Acid

HRID 138292Notes

Reaction equation

HRID 138292 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:43])[C:9]([CH2:12][c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)([CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][CH:25]([NH:28][c:29]4[n:30][c:31]5[c:32]([n:33]4[CH2:34][CH2:35][O:36][CH2:37][CH3:38])[cH:39][cH:40][cH:41][cH:42]5)[CH2:26][CH2:27]3)[CH2:10][CH2:11]2)[cH:44][c:45]([O:49][CH3:50])[c:46]1[O:47][CH3:48].[CH3:51][S:52]([OH:53])(=[O:54])=[O:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:43])[C:9]([CH2:12][c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)([CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][CH:25]([NH:28][c:29]4[n:30][c:31]5[c:32]([n:33]4[CH2:34][CH2:35][O:36][CH2:37][CH3:38])[cH:39][cH:40][cH:41][cH:42]5)[CH2:26][CH2:27]3)[CH2:10][CH2:11]2)[cH:44][c:45]([O:49][CH3:50])[c:46]1[O:47][CH3:48].[CH3:51][S:52](=[O:53])(=[O:54])[OH:55]

Participants

5

Reactant 3

HCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 9874780HCID 9874780, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 9874780HCID 9874780, compound

Sources & evidence

ORD record
ord-286fc9c258ab4a35896f7d59390f892c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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