Methanesulfonic Acid → Methanesulfonic Acid

HRID 1225252Notes

Reaction equation

HRID 1225252 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:50]2)[CH:20]=[C:21]([C:30](=[O:31])[NH:32][c:33]2[cH:34][cH:35][c:36]([S:39](=[O:40])[CH2:41][c:42]4[cH:43][n:44][cH:45][n:46]4[CH2:47][CH2:48][CH3:49])[cH:37][cH:38]2)[CH2:22][CH2:23][CH2:24][N:25]3[CH2:26][CH:27]([CH3:28])[CH3:29])[cH:13][cH:14]1.[CH3:51][S:52]([OH:53])(=[O:54])=[O:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:50]2)[CH:20]=[C:21]([C:30](=[O:31])[NH:32][c:33]2[cH:34][cH:35][c:36]([S:39](=[O:40])[CH2:41][c:42]4[cH:43][n:44][cH:45][n:46]4[CH2:47][CH2:48][CH3:49])[cH:37][cH:38]2)[CH2:22][CH2:23][CH2:24][N:25]3[CH2:26][CH:27]([CH3:28])[CH3:29])[cH:13][cH:14]1.[CH3:51][S:52](=[O:53])(=[O:54])[OH:55]

Participants

5

Reactant 3

HCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 6320532HCID 6320532, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 6320532HCID 6320532, compound

Sources & evidence

ORD record
ord-54e3ef7abba646619f843b1a7ea10cf5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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