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

HRID 1133833Notes

Reaction equation

HRID 1133833 reaction equation
[Br:27][CH2:28][c:29]1[cH:30][cH:31][c:32](-[c:35]2[n:36][o:37][cH:38][n:39]2)[cH:33][cH:34]1.[C:21](=[O:22])([O-:23])[O-:24].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH:12]2[CH:13]([CH2:19][OH:20])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:6][cH:7]1.[Cl:40][c:41]1[cH:42][cH:43][c:44]([S:45]([N:46]([CH2:47][c:48]2[cH:49][cH:50][c:51]([C:52]#[N:53])[cH:54][cH:55]2)[CH:56]2[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH:62]2[CH2:63][OH:64])(=[O:65])=[O:66])[cH:67][cH:68]1.[Cs+:25].[Cs+:26]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH:12]2[CH:13]([CH2:19][OH:20])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[CH2:28][c:29]2[cH:30][cH:31][c:32](-[c:35]3[n:36][o:37][cH:38][n:39]3)[cH:33][cH:34]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 666696114-chloro-N-[(4-cyanophenyl)methyl]-N-[2-(hydroxymethyl)cycloheptyl]benzenesulfonamideHCID 666700193-(4-(Bromomethyl)phenyl)-1,2,4-oxadiazoleHCID 666700314-chloro-N-[2-(hydroxymethyl)cycloheptyl]benzenesulfonamide

Product 1

HCID 673146244-chloro-N-[2-(hydroxymethyl)cycloheptyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide

Sources & evidence

ORD record
ord-3b84ca5f643a44cea5f2485eac927f8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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