Carbonate Ion → 4-chloro-N-(1-(hydroxymethyl)cyclohexyl)-N-(4-(oxazol-2-yl)benzyl)benzenesulfonamide

HRID 1153344Notes

Reaction equation

HRID 1153344 reaction equation
[Br:26][CH2:27][c:28]1[cH:29][cH:30][c:31](-[c:34]2[o:35][cH:36][cH:37][n:38]2)[cH:32][cH:33]1.[Br:39][c:40]1[cH:41][cH:42][c:43]([CH2:44][N:45]([C:46]2([CH2:47][OH:48])[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]2)[S:54]([c:55]2[cH:56][cH:57][c:58]([Cl:59])[cH:60][cH:61]2)(=[O:62])=[O:63])[cH:64][cH:65]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][C:12]2([CH2:18][OH:19])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:6][cH:7]1.[Cs+:24].[Cs+:25]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([C:12]2([CH2:18][OH:19])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[CH2:27][c:28]2[cH:29][cH:30][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 210755772-(4-(Bromomethyl)phenyl)oxazoleHCID 210787144-chloro-N-(1-(hydroxymethyl)cyclohexyl)benzenesulfonamideHCID 66669636N-(4-bromobenzyl)-4-chloro-N-(1-(hydroxymethyl)cyclohexyl)benzenesulfonamide

Product 1

HCID 594977984-chloro-N-(1-(hydroxymethyl)cyclohexyl)-N-(4-(oxazol-2-yl)benzyl)benzenesulfonamide

Sources & evidence

ORD record
ord-ae68dbd6ab9e4815a8725352e7f8df75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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