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

HRID 93488Notes

Reaction equation

HRID 93488 reaction equation
[Br:26][CH2:27][c:28]1[c:29]([F:40])[c:30]([F:39])[c:31](-[c:34]2[o:35][cH: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:41]1[cH:42][n:43][c:44](-[c:45]2[cH:46][cH:47][c:48]([CH2:49][N:50]([CH:51]3[CH2:52][CH2:53][CH2:54][CH2:55][CH:56]3[CH2:57][OH:58])[S:59]([c:60]3[cH:61][cH:62][c:63]([Cl:64])[cH:65][cH:66]3)(=[O:67])=[O:68])[cH:69][cH:70]2)[n:71]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:40])[c:30]([F:39])[c:31](-[c:34]3[o:35][cH: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 666695642-(4-(Bromomethyl)-2,3-difluorophenyl)oxazoleHCID 673146974-chloro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide

Product 1

HCID 469271114-chloro-N-[[2,3-difluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide

Sources & evidence

ORD record
ord-eb7fc81cc76c4f0585988a3110209029
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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