Dimethyl Sulfoxide → rac-(2S,3S,4S)-2-(3-chloro-2-fluoro-phenyl)-3-(4-chloro-2-fluoro-phenyl)-3-cyano-4-(2,2-dimethyl-propyl)-pyrrolidine-1-carboxylic acid (4-carbamoyl-phenyl)-amide
Reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[N:12]2[CH:13]([c:32]3[c:33]([F:39])[c:34]([Cl:38])[cH:35][cH:36][cH:37]3)[C:14]([C:22]#[N:23])([c:24]3[c:25]([F:31])[cH:26][c:27]([Cl:30])[cH:28][cH:29]3)[CH:15]([CH2:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:16]2)[cH:7][cH:8]1.[CH3:48][S:49]([CH3:50])=[O:51].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[K+:40].[K+:41].[O-:42][C:43]([O-:44])=[O:45].[OH:46][OH:47]>>[C:1]([NH2:2])([c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[N:12]2[CH:13]([c:32]3[c:33]([F:39])[c:34]([Cl:38])[cH:35][cH:36][cH:37]3)[C:14]([C:22]#[N:23])([c:24]3[c:25]([F:31])[cH:26][c:27]([Cl:30])[cH:28][cH:29]3)[CH:15]([CH2:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:16]2)[cH:7][cH:8]1)=[O:42]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-dc0eee2f46564800b6d2bc28c2129dd4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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