Acetonitrile → Bromide ion

HRID 104765Notes

Reaction equation

HRID 104765 reaction equation
[Br:30][CH2:31][C:32](=[O:33])[NH:34][c:35]1[n:36][o:37][cH:38][cH:39]1.[CH3:40][C:41]#[N:42].[N:1]12[CH2:2][CH:3]([O:9][C:10]([C:11]([c:12]3[cH:13][c:14]([O:18][CH3:19])[cH:15][cH:16][cH:17]3)([c:20]3[cH:21][c:22]([O:26][CH3:27])[cH:23][cH:24][cH:25]3)[OH:28])=[O:29])[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2>>[Br-:30].[N+:1]12([CH2:31][C:32](=[O:33])[NH:34][c:35]3[n:36][o:37][cH:38][cH:39]3)[CH2:2][CH:3]([O:9][C:10]([C:11]([c:12]3[cH:13][c:14]([O:18][CH3:19])[cH:15][cH:16][cH:17]3)([c:20]3[cH:21][c:22]([O:26][CH3:27])[cH:23][cH:24][cH:25]3)[OH:28])=[O:29])[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 133629192-bromo-N-(isoxazol-3-yl)acetamideHCID 911102181-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-bis(3-methoxyphenyl)acetate

Product 2

HCID 259Bromide ionHCID 73034719[1-[2-(1,2-Oxazol-3-ylamino)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-bis(3-methoxyphenyl)acetate

Sources & evidence

ORD record
ord-38f9616665a347cdb286f345c3b896d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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