Acetonitrile → Methanesulfonate

HRID 207803Notes

Reaction equation

HRID 207803 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.[CH3:33][c:34]1[cH:35][c:36]([C:41]23[CH2:42][CH2:43][N:44]([CH2:45][CH2:46]2)[CH2:47][CH2:48]3)[cH:37][c:38]([CH3:40])[cH:39]1.[CH3:49][C:50]#[N:51]>>[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+:44]12[CH2:43][CH2:42][C:41]([c:36]3[cH:35][c:34]([CH3:33])[cH:39][c:38]([CH3:40])[cH:37]3)([CH2:46][CH2:45]1)[CH2:48][CH2:47]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 226138314-(3,5-Dimethylphenyl)quinuclidine

Product 2

HCID 85257MethanesulfonateHCID 18736837[1-[2-(3,4-Dichlorophenyl)-4-[4-(3,5-dimethylphenyl)-1-azoniabicyclo[2.2.2]octan-1-yl]butyl]imidazol-2-yl]-(2-methoxyphenyl)methanone

Sources & evidence

ORD record
ord-790e21868058455d85bcb79fa8dc1c29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…