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

HRID 2122697Notes

Reaction equation

HRID 2122697 reaction equation
[Br:1][c:2]1[c:3]([Cl:18])[c:4]([CH:8]([N:9]([S:10](=[O:11])(=[O:12])[CH3:13])[CH3:14])[CH:15]2[CH2:16][CH2:17]2)[cH:5][n:6][cH:7]1.[C:37](=[O:38])([O-:39])[O-:40].[Cl:19][c:20]1[c:21]([C:22]#[N:23])[cH:24][cH:25][c:26]([B:28]2[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]2)[cH:27]1.[Na+:41].[Na+:42].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:43]>>[c:2]1(-[c:26]2[cH:25][cH:24][c:21]([C:22]#[N:23])[c:20]([Cl:19])[cH:27]2)[c:3]([Cl:18])[c:4]([CH:8]([N:9]([S:10](=[O:11])(=[O:12])[CH3:13])[CH3:14])[CH:15]2[CH2:16][CH2:17]2)[cH:5][n:6][cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 579261132-Chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileHCID 59578436N-((5-bromo-4-chloropyridin-3-yl)(cyclopropyl)methyl)-N-methylmethanesulfonamide

Product 1

HCID 59578406N-((4-chloro-5-(3-chloro-4-cyanophenyl)pyridin-3-yl)(cyclopropyl)methyl)-N-methylmethanesulfonamide

Sources & evidence

ORD record
ord-63bf1ddafe0f437f9dc7f5f82dd9caa6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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