Hydrochloric Acid → 4-Cyano-N-(2-{7-[2-(4-difluoromethoxy-phenyl)-ethyl]-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl}-ethyl)-N-methyl-benzenesulfonamide

HRID 810043Notes

Reaction equation

HRID 810043 reaction equation
[C:3](#[N:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:14]([CH2:15][CH2:16][N:17]2[CH2:18][CH:19]3[CH2:20][NH:21][CH2:22][CH:23]([CH2:24]2)[O:25]3)[CH3:26])[cH:9][cH:10]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:51][C:52]#[N:53].[ClH:1].[ClH:2].[F:27][CH:28]([O:29][c:30]1[cH:31][cH:32][c:33]([CH2:36][CH2:37][O:38][S:39]([CH3:40])(=[O:41])=[O:42])[cH:34][cH:35]1)[F:43].[K+:48].[K+:49].[OH2:50]>>[C:3](#[N:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:14]([CH2:15][CH2:16][N:17]2[CH2:18][CH:19]3[CH2:20][N:21]([CH2:37][CH2:36][c:33]4[cH:32][cH:31][c:30]([O:29][CH:28]([F:27])[F:43])[cH:35][cH:34]4)[CH2:22][CH:23]([CH2:24]2)[O:25]3)[CH3:26])[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 54016432Benzeneethanol, 4-(difluoromethoxy)-, 1-methanesulfonateHCID 685178834-cyano-N-methyl-N-[2-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethyl]benzenesulfonamide

Product 1

HCID 685199424-Cyano-N-(2-{7-[2-(4-difluoromethoxy-phenyl)-ethyl]-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl}-ethyl)-N-methyl-benzenesulfonamide

Sources & evidence

ORD record
ord-7b8ae7d83be04860a060e59c74697093
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

Loading…