Carbonate Ion → 4-chloro-N-[(4-cyano-2,5-difluorophenyl)methyl]-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide

HRID 2125076Notes

Reaction equation

HRID 2125076 reaction equation
[Br:26][CH2:27][c:28]1[cH:29][c:30]([F:37])[c:31]([C:32]#[N:33])[cH:34][c:35]1[F:36].[C:20](=[O:21])([O-:22])[O-:23].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH:12]2[CH:13]([CH2:18][OH:19])[CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:6][cH:7]1.[Cl:38][c:39]1[cH:40][cH:41][c:42]([S:43]([N:44]([CH2:45][c:46]2[cH:47][cH:48][c:49](-[c:50]3[o:51][cH:52][cH:53][n:54]3)[c:55]([F:56])[c:57]2[F:58])[CH:59]2[CH2:60][CH2:61][CH2:62][CH2:63][CH:64]2[CH2:65][OH:66])(=[O:67])=[O:68])[cH:69][cH:70]1.[Cs+:24].[Cs+:25]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH:12]2[CH:13]([CH2:18][OH:19])[CH2:14][CH2:15][CH2:16][CH2:17]2)[CH2:27][c:28]2[cH:29][c:30]([F:37])[c:31]([C:32]#[N:33])[cH:34][c:35]2[F:36])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 469271114-chloro-N-[[2,3-difluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamideHCID 534042034-(Bromomethyl)-2,5-difluorobenzonitrileHCID 673146974-chloro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide

Product 1

HCID 666696144-chloro-N-[(4-cyano-2,5-difluorophenyl)methyl]-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide

Sources & evidence

ORD record
ord-b7395d882d9c4d65bae75fcefa098c34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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