Acetic Acid → Methanesulfonate

HRID 304317Notes

Reaction equation

HRID 304317 reaction equation
[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][C:43](=[O:44])[OH:45].[Cl:6][c:7]1[cH:8][c:9]([O:10][c:11]2[cH:12][cH:13][n:14][c:15]3[cH:16][c:17]([O:24][CH3:25])[c:18]([C:21](=[O:22])[NH2:23])[cH:19][c:20]23)[cH:26][cH:27][c:28]1[NH:29][C:30](=[O:31])[NH:32][CH:33]1[CH2:34][CH2:35]1>>[CH3:1][S:2](=[O:3])(=[O:4])[O-:5].[Cl:6][c:7]1[cH:8][c:9]([O:10][c:11]2[cH:12][cH:13][n:14][c:15]3[cH:16][c:17]([O:24][CH3:25])[c:18]([C:21](=[O:22])[NH2:23])[cH:19][c:20]23)[cH:26][cH:27][c:28]1[NH:29][C:30](=[O:31])[NH:32][CH:33]1[CH2:34][CH2:35]1

Participants

6

Reactant 4

HCID 176Acetic AcidHCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 9823820Lenvatinib

Product 2

HCID 85257MethanesulfonateHCID 9823820Lenvatinib

Sources & evidence

ORD record
ord-0a666a9b57be4cc99576d9dff925e21b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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