Carbonate Ion → 4-chloro-N-[(4-cyano-2,5-difluorophenyl)methyl]-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide

HRID 1572434Notes

Reaction equation

HRID 1572434 reaction equation
[Br:26][CH2:27][c:28]1[cH:29][c:30]([F:37])[c:31]([C:32]#[N:33])[cH:34][c:35]1[F:36].[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:38]1[cH:39][n:40][c:41](-[c:42]2[cH:43][cH:44][c:45]([CH2:46][N:47]([CH:48]3[CH2:49][CH2:50][CH2:51][CH2:52][CH:53]3[CH2:54][OH:55])[S:56]([c:57]3[cH:58][cH:59][c:60]([Cl:61])[cH:62][cH:63]3)(=[O:64])=[O:65])[cH:66][cH:67]2)[n:68]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[cH:29][c:30]([F:37])[c:31]([C:32]#[N:33])[cH:34][c:35]2[F:36])[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 534042034-(Bromomethyl)-2,5-difluorobenzonitrileHCID 673146974-chloro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide

Product 1

HCID 666696144-chloro-N-[(4-cyano-2,5-difluorophenyl)methyl]-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide

Sources & evidence

ORD record
ord-da3064e9ce6e48eeb56c4cbe08806e07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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