Hydrochloric Acid → 4-[2-chloro-4-(3,3-difluoroazetidin-1-yl)phenyl]sulfonyl-N-(1-cyanocyclopropyl)-1-[5-methyl-2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide

HRID 102595

Reaction equation

HRID 102595 reaction equation
[CH3:46][C:47]#[N:48].[Cl:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[CH:12]2[CH2:13][CH:14]([C:31](=[O:32])[NH:33][C:34]3([C:37]#[N:38])[CH2:35][CH2:36]3)[N:15]([c:17]3[cH:18][c:19]([CH3:30])[n:20][n:21]3[CH2:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:16]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[ClH:39].[F:40][C:41]1([F:45])[CH2:42][NH:43][CH2:44]1>>[Cl:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[CH:12]2[CH2:13][CH:14]([C:31](=[O:32])[NH:33][C:34]3([C:37]#[N:38])[CH2:35][CH2:36]3)[N:15]([c:17]3[cH:18][c:19]([CH3:30])[n:20][n:21]3[CH2:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:16]2)[cH:4][cH:5][c:6]([N:43]2[CH2:42][C:41]([F:40])([F:45])[CH2:44]2)[cH:7]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 27582483,3-DifluoroazetidineHCID 723221864-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1-[5-methyl-2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide

Product 1

HCID 723222004-[2-chloro-4-(3,3-difluoroazetidin-1-yl)phenyl]sulfonyl-N-(1-cyanocyclopropyl)-1-[5-methyl-2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide

Sources & evidence

ORD record
ord-ce9d080977e9429b968d48e668f1087b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…