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

HRID 169297Notes

Reaction equation

HRID 169297 reaction equation
[Br:25][CH2:26][c:27]1[cH:28][cH:29][c:30](-[c:33]2[o:34][cH:35][cH:36][n:37]2)[cH:31][cH:32]1.[C:19](=[O:20])([O-:21])[O-:22].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH:12]2[CH:13]([CH2:17][OH:18])[CH2:14][CH2:15][CH2:16]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]#[N:51])[cH:52][cH:53]2)[CH:54]2[CH2:55][CH2:56][CH2:57][CH:58]2[CH2:59][OH:60])(=[O:61])=[O:62])[cH:63][cH:64]1.[Cs+:23].[Cs+:24]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH:12]2[CH:13]([CH2:17][OH:18])[CH2:14][CH2:15][CH2:16]2)[CH2:26][c:27]2[cH:28][cH:29][c:30](-[c:33]3[o:34][cH:35][cH:36][n:37]3)[cH:31][cH:32]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 210755772-(4-(Bromomethyl)phenyl)oxazoleHCID 66669626HCID 66669626, compoundHCID 67313770HCID 67313770, compound

Product 1

HCID 666699934-chloro-N-[2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide

Sources & evidence

ORD record
ord-ac03322dc5294988b925d78902e24af9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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