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

HRID 316459

Reaction equation

HRID 316459 reaction equation
[Br:20][CH2:21][CH2:22][NH:23][S:24](=[O:25])(=[O:26])[CH3:27].[C:28](=[O:29])([O-:30])[O-:31].[CH3:34][C:35]#[N:36].[CH:1]12[CH2:2][N:3]([CH2:10][c:11]3[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]3)[CH2:4][CH:5]([CH2:6][NH:7][CH2:8]1)[O:9]2.[ClH:19].[K+:32].[K+:33]>>[CH:1]12[CH2:2][N:3]([CH2:10][c:11]3[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]3)[CH2:4][CH:5]([CH2:6][N:7]([CH2:21][CH2:22][NH:23][S:24](=[O:25])(=[O:26])[CH3:27])[CH2:8]1)[O:9]2

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 285330N-(2-bromoethyl)methanesulfonamideHCID 670966974-(9-Oxa-3,7-diazabicyclo[3.3.1]non-3-ylmethyl)benzonitrile

Product 1

HCID 69067702N-{2-[7-(4-Cyano-benzyl)-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl]-ethyl}-methanesulfonamide

Sources & evidence

ORD record
ord-61afd07015e04d488f748803db75d16c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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