Acetonitrile → Methanesulfonate

HRID 319484Notes

Reaction equation

HRID 319484 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[O:5][CH2:6][CH2:7][CH:8]([CH2:9][n:10]1[c:11]([C:15]([c:16]2[cH:17][c:18]([C:23]([F:24])([F:25])[F:26])[c:19]([F:22])[cH:20][cH:21]2)=[O:27])[n:12][cH:13][cH:14]1)[c:28]1[cH:29][c:30]([Cl:35])[c:31]([Cl:34])[cH:32][cH:33]1.[CH3:50][C:51]#[N:52].[CH:36]1([C:42]23[CH2:43][CH2:44][N:45]([CH2:46][CH2:47]2)[CH2:48][CH2:49]3)[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1>>[CH2:6]([CH2:7][CH:8]([CH2:9][n:10]1[c:11]([C:15]([c:16]2[cH:17][c:18]([C:23]([F:24])([F:25])[F:26])[c:19]([F:22])[cH:20][cH:21]2)=[O:27])[n:12][cH:13][cH:14]1)[c:28]1[cH:29][c:30]([Cl:35])[c:31]([Cl:34])[cH:32][cH:33]1)[N+:45]12[CH2:44][CH2:43][C:42]([CH:36]3[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]3)([CH2:47][CH2:46]1)[CH2:49][CH2:48]2.[CH3:1][S:2](=[O:3])(=[O:4])[O-:5]

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 226138101-Methanesulphonyloxy-3-(3,4-dichlorophenyl)-4-[2-(3-trifluoromethyl-4-fluorobenzoyl)imidazol-1-yl]butaneHCID 226138404-Cyclohexylquinuclidine

Product 2

HCID 85257MethanesulfonateHCID 18736844[1-[4-(4-Cyclohexyl-1-azoniabicyclo[2.2.2]octan-1-yl)-2-(3,4-dichlorophenyl)butyl]imidazol-2-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone

Sources & evidence

ORD record
ord-c518347fc33f4b1893a2a46cc2bfec8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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