Acetonitrile → Methanesulfonic Acid

HRID 1136332Notes

Reaction equation

HRID 1136332 reaction equation
[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH3:7])[CH2:8][CH:9]1[N:10]([CH2:15][CH2:16][NH:17][C:18](=[O:19])[N:20]2[c:21]3[c:22]([cH:32][cH:33][cH:34][n:35]3)[NH:23][C:24](=[O:31])[c:25]3[c:26]2[cH:27][cH:28][cH:29][cH:30]3)[CH2:11][CH2:12][CH2:13][CH2:14]1.[CH3:36][S:37]([OH:38])(=[O:39])=[O:40].[CH3:41][C:42]#[N:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49]>>[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH3:7])[CH2:8][CH:9]1[N:10]([CH2:15][CH2:16][NH:17][C:18](=[O:19])[N:20]2[c:21]3[c:22]([cH:32][cH:33][cH:34][n:35]3)[NH:23][C:24](=[O:31])[c:25]3[c:26]2[cH:27][cH:28][cH:29][cH:30]3)[CH2:11][CH2:12][CH2:13][CH2:14]1.[CH3:36][S:37](=[O:38])(=[O:39])[OH:40]

Participants

6

Reactant 4

HCID 6342AcetonitrileHCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 119357AF-DX-384

Product 2

HCID 6395Methanesulfonic AcidHCID 119357AF-DX-384

Sources & evidence

ORD record
ord-018d0f04999541849675b8853cb28bb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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