Methanesulfonic Acid → Methanesulfonate

HRID 683056Notes

Reaction equation

HRID 683056 reaction equation
[C:43]([O:44][CH3:45])([CH3:46])([CH3:47])[CH3:48].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:38][S:39]([OH:40])(=[O:41])=[O:42].[NH2:1][C:2](=[O:3])[C:4]1([c:7]2[cH:8][cH:9][c:10](-[c:13]3[cH:14][cH:15][c:16]([CH:19]([CH:20]([F:21])[F:22])[NH:23][CH:24]([CH2:25][C:26]([CH3:27])([CH3:28])[F:29])[C:30](=[O:31])[NH:32][C:33]4([C:36]#[N:37])[CH2:34][CH2:35]4)[cH:17][cH:18]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1>>[CH3:38][S:39](=[O:40])(=[O:41])[O-:42].[NH2:1][C:2](=[O:3])[C:4]1([c:7]2[cH:8][cH:9][c:10](-[c:13]3[cH:14][cH:15][c:16]([CH:19]([CH:20]([F:21])[F:22])[NH2+:23][CH:24]([CH2:25][C:26]([CH3:27])([CH3:28])[F:29])[C:30](=[O:31])[NH:32][C:33]4([C:36]#[N:37])[CH2:34][CH2:35]4)[cH:17][cH:18]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1

Participants

6

Reactant 4

HCID 6395Methanesulfonic AcidHCID 8028TetrahydrofuranHCID 15413tert-Butyl methyl etherHCID 72448470HCID 72448470, compound

Product 2

HCID 85257MethanesulfonateHCID 178455685HCID 178455685, compound

Sources & evidence

ORD record
ord-24d98c3a4c58490286ca06bf7c746dcc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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