Acetonitrile → Methanesulfonate

HRID 1540959Notes

Reaction equation

HRID 1540959 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[c:17]([O:22][CH3:23])[cH:18][cH:19][cH:20][cH:21]2)=[O:24])[n:12][cH:13][cH:14]1)[c:25]1[cH:26][c:27]([Cl:32])[c:28]([Cl:31])[cH:29][cH:30]1.[CH3:47][C:48]#[N:49].[CH:33]1([C:39]23[CH2:40][CH2:41][N:42]([CH2:43][CH2:44]2)[CH2:45][CH2:46]3)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1>>[CH2:6]([CH2:7][CH:8]([CH2:9][n:10]1[c:11]([C:15]([c:16]2[c:17]([O:22][CH3:23])[cH:18][cH:19][cH:20][cH:21]2)=[O:24])[n:12][cH:13][cH:14]1)[c:25]1[cH:26][c:27]([Cl:32])[c:28]([Cl:31])[cH:29][cH:30]1)[N+:42]12[CH2:41][CH2:40][C:39]([CH:33]3[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]3)([CH2:44][CH2:43]1)[CH2:46][CH2:45]2.[CH3:1][S:2](=[O:3])(=[O:4])[O-:5]

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 226138281-Methanesulphonyloxy-3-(3,4-dichlorophenyl)-4-[2-(2-methoxybenzoyl)imidazol-1-yl]butaneHCID 226138404-Cyclohexylquinuclidine

Product 2

HCID 85257MethanesulfonateHCID 18736843[1-[4-(4-Cyclohexyl-1-azoniabicyclo[2.2.2]octan-1-yl)-2-(3,4-dichlorophenyl)butyl]imidazol-2-yl]-(2-methoxyphenyl)methanone

Sources & evidence

ORD record
ord-cae90ee8a70d4f51a3a5dbcaf8dfb73f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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