Acetonitrile → Methanesulfonic Acid

HRID 1225606Notes

Reaction equation

HRID 1225606 reaction equation
[CH3:38][S:39]([OH:40])(=[O:41])=[O:42].[CH3:43][C:44]#[N:45].[Cl:1][c:2]1[cH:3][c:4]([F:37])[c:5]([NH:26][C:27](=[O:28])[NH:29][c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[cH:6][c:7]1-[c:8]1[c:9](=[O:25])[n:10]([CH2:23][CH3:24])[c:11]2[cH:12][c:13]([NH:18][CH2:19][CH2:20][O:21][CH3:22])[n:14][cH:15][c:16]2[cH:17]1>>[CH3:38][S:39](=[O:40])(=[O:41])[OH:42].[Cl:1][c:2]1[cH:3][c:4]([F:37])[c:5]([NH:26][C:27](=[O:28])[NH:29][c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[cH:6][c:7]1-[c:8]1[c:9](=[O:25])[n:10]([CH2:23][CH3:24])[c:11]2[cH:12][c:13]([NH:18][CH2:19][CH2:20][O:21][CH3:22])[n:14][cH:15][c:16]2[cH:17]1

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 6395Methanesulfonic AcidHCID 71584955HCID 71584955, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 71584955HCID 71584955, compound

Sources & evidence

ORD record
ord-a27a9f94df024a0ea55ccb8b769de5a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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