Methanesulfonic Acid → tert-butyl 2-[(1-cyanocyclopropyl)carbamoyl]-4-(2,4-difluorophenyl)sulfanylpyrrolidine-1-carboxylate

HRID 674824Notes

Reaction equation

HRID 674824 reaction equation
[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11](=[O:12])[N:13]1[CH:14]([C:23]([NH:24][C:25]2([C:28]#[N:29])[CH2:26][CH2:27]2)=[O:30])[CH2:15][CH:16]([O:18][S:19]([CH3:20])(=[O:21])=[O:22])[CH2:17]1.[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[F:31][c:32]1[c:33]([SH:39])[cH:34][cH:35][c:36]([F:38])[cH:37]1>>[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11](=[O:12])[N:13]1[CH:14]([C:23]([NH:24][C:25]2([C:28]#[N:29])[CH2:26][CH2:27]2)=[O:30])[CH2:15][CH:16]([S:39][c:33]2[c:32]([F:31])[cH:37][c:36]([F:38])[cH:35][cH:34]2)[CH2:17]1

Participants

4

Reactant 3

HCID 6395Methanesulfonic AcidHCID 27370732,4-Difluorobenzene-1-thiolHCID 178452484tert-butyl 2-[(1-cyanocyclopropyl)carbamoyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate

Product 1

HCID 178452497tert-butyl 2-[(1-cyanocyclopropyl)carbamoyl]-4-(2,4-difluorophenyl)sulfanylpyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-f5ced9e03c4543d7bdd7eecdf34771ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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