Hydrochloric Acid → 4-Cyano-N-(2-{7-[2-(2-fluoro-phenoxy)-ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}-ethyl)-N-methyl-benzenesulfonamide

HRID 2312608

Reaction equation

HRID 2312608 reaction equation
[Br:27][CH2:28][CH2:29][O:30][c:31]1[c:32]([F:37])[cH:33][cH:34][cH:35][cH:36]1.[C:38](=[O:39])([O-:40])[O-:41].[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.[CH3:44][C:45]#[N:46].[ClH:1].[ClH:2].[K+:42].[K+:43].[OH2:47]>>[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]([CH2:28][CH2:29][O:30][c:31]4[c:32]([F:37])[cH:33][cH:34][cH:35][cH:36]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 23861061-(2-Bromoethoxy)-2-fluorobenzeneHCID 685178834-cyano-N-methyl-N-[2-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethyl]benzenesulfonamide

Product 1

HCID 685208004-Cyano-N-(2-{7-[2-(2-fluoro-phenoxy)-ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}-ethyl)-N-methyl-benzenesulfonamide

Sources & evidence

ORD record
ord-ccbd478608664023a0602327acba606e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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