Methanesulfonic Acid → Methanesulfonic Acid

HRID 171284Notes

Reaction equation

HRID 171284 reaction equation
[CH3:30][S:31]([OH:32])(=[O:33])=[O:34].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[F:1][CH:2]1[CH2:3][CH:4]([C:28]#[N:29])[N:5]([C:7]([CH2:8][NH:9][C:10]2([CH3:26])[C:11]([CH3:24])([CH3:25])[CH:12]([CH2:15][c:16]3[n:17][o:18][c:19]([CH:21]([CH3:22])[CH3:23])[n:20]3)[CH2:13][CH2:14]2)=[O:27])[CH2:6]1>>[CH3:30][S:31](=[O:32])(=[O:33])[OH:34].[F:1][CH:2]1[CH2:3][CH:4]([C:28]#[N:29])[N:5]([C:7]([CH2:8][NH:9][C:10]2([CH3:26])[C:11]([CH3:24])([CH3:25])[CH:12]([CH2:15][c:16]3[n:17][o:18][c:19]([CH:21]([CH3:22])[CH3:23])[n:20]3)[CH2:13][CH2:14]2)=[O:27])[CH2:6]1

Participants

5

Reactant 3

HCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 75232696HCID 75232696, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 75232696HCID 75232696, compound

Sources & evidence

ORD record
ord-c996b870a83846e38b6e1cb838a1ba75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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