Acetonitrile → Methanesulfonate

HRID 186312Notes

Reaction equation

HRID 186312 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.[CH3:51][C:52]#[N:53].[cH:33]1[c:34]([C:43]23[CH2:44][CH2:45][N:46]([CH2:47][CH2:48]2)[CH2:49][CH2:50]3)[cH:35][cH:36][c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]12>>[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+:46]12[CH2:45][CH2:44][C:43]([c:34]3[cH:33][c:42]4[c:37]([cH:36][cH:35]3)[cH:38][cH:39][cH:40][cH:41]4)([CH2:48][CH2:47]1)[CH2:50][CH2:49]2.[CH3:1][S:2](=[O:3])(=[O:4])[O-:5]

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 226138124-(2-Naphthyl)quinuclidineHCID 226138281-Methanesulphonyloxy-3-(3,4-dichlorophenyl)-4-[2-(2-methoxybenzoyl)imidazol-1-yl]butane

Product 2

HCID 85257MethanesulfonateHCID 18736836[1-[2-(3,4-Dichlorophenyl)-4-(4-naphthalen-2-yl-1-azoniabicyclo[2.2.2]octan-1-yl)butyl]imidazol-2-yl]-(2-methoxyphenyl)methanone

Sources & evidence

ORD record
ord-aefad812992549e7990fcd639056887e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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