Carbonate Ion → 4-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide

HRID 1556656Notes

Reaction equation

HRID 1556656 reaction equation
[Br:26][CH2:27][c:28]1[c:29]([F:39])[cH:30][c:31](-[c:34]2[n:35][o:36][cH:37][n:38]2)[cH:32][cH:33]1.[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.[Cs+:24].[Cs+:25].[o:40]1[cH:41][n:42][c:43](-[c:44]2[cH:45][cH:46][c:47]([CH2:48][N:49]([CH:50]3[CH2:51][CH2:52][CH2:53][CH2:54][CH:55]3[CH2:56][OH:57])[S:58]([c:59]3[cH:60][cH:61][c:62]([Cl:63])[cH:64][cH:65]3)(=[O:66])=[O:67])[cH:68][cH:69]2)[n:70]1>>[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[c:29]([F:39])[cH:30][c:31](-[c:34]3[n:35][o:36][cH:37][n:38]3)[cH:32][cH:33]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 469271124-chloro-N-[2-(hydroxymethyl)cyclohexyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamideHCID 576723673-(4-(Bromomethyl)-3-fluorophenyl)-1,2,4-oxadiazoleHCID 673146974-chloro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide

Product 1

HCID 673146164-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide

Sources & evidence

ORD record
ord-1fd74f91445d4add9b0e8636b2fe45d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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