Sodium ion → N-((5-(3-chloro-4-cyanophenyl)pyridin-3-yl)(cyclopropyl)methyl)ethanesulfonamide

HRID 1220826Notes

Reaction equation

HRID 1220826 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH:8]([NH:9][S:10](=[O:11])(=[O:12])[CH2:13][CH3:14])[CH:15]2[CH2:16][CH2:17]2)[cH:5][n:6][cH:7]1.[Cl:18][c:19]1[c:20]([C:21]#[N:22])[cH:23][cH:24][c:25]([B:27]2[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]2)[cH:26]1.[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[c:2]1(-[c:25]2[cH:24][cH:23][c:20]([C:21]#[N:22])[c:19]([Cl:18])[cH:26]2)[cH:3][c:4]([CH:8]([NH:9][S:10](=[O:11])(=[O:12])[CH2:13][CH3:14])[CH:15]2[CH2:16][CH2:17]2)[cH:5][n:6][cH:7]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 579261132-Chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileHCID 59578386N-((5-bromopyridin-3-yl)(cyclopropyl)methyl)ethanesulfonamide

Product 1

HCID 49819978N-((5-(3-chloro-4-cyanophenyl)pyridin-3-yl)(cyclopropyl)methyl)ethanesulfonamide

Sources & evidence

ORD record
ord-74af1e9ade8b41ba9702d5397a5bc044
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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