Carbonate Ion → 5-chloro-N-[[2,3-difluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-sulfonamide

HRID 1211378Notes

Reaction equation

HRID 1211378 reaction equation
[Br:25][CH2:26][c:27]1[c:28]([F:39])[c:29]([F:38])[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:7](=[O:8])(=[O:9])[NH:10][CH:11]2[CH:12]([CH2:17][OH:18])[CH2:13][CH2:14][CH2:15][CH2:16]2)[s:6]1.[Cs+:23].[Cs+:24].[o:40]1[cH:41][n:42][c:43](-[c:44]2[cH:45][cH:46][c:47]([CH2:48][N:49]([CH:50]3[CH2:51][CH2:52][CH2:53][CH2:54][CH:55]3[CH2:56][OH:57])[S:58]([c:59]3[cH:60][cH:61][c:62]([Cl:63])[cH:64][cH:65]3)(=[O:66])=[O:67])[cH:68][cH:69]2)[n:70]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:7](=[O:8])(=[O:9])[N:10]([CH:11]2[CH:12]([CH2:17][OH:18])[CH2:13][CH2:14][CH2:15][CH2:16]2)[CH2:26][c:27]2[c:28]([F:39])[c:29]([F:38])[c:30](-[c:33]3[o:34][cH:35][cH:36][n:37]3)[cH:31][cH:32]2)[s:6]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 673154255-chloro-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-sulfonamide

Product 1

HCID 673146505-chloro-N-[[2,3-difluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-sulfonamide

Sources & evidence

ORD record
ord-dc4fdcb1bbad44ad9f7ade00b1513507
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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