Acetonitrile → Bromide ion

HRID 1208124Notes

Reaction equation

HRID 1208124 reaction equation
[Br:27][CH2:28][C:29](=[O:30])[c:31]1[cH:32][c:33]([C:36](=[O:37])[O:38][CH2:39][CH3:40])[n:34][o:35]1.[CH3:41][C:42]#[N:43].[N:1]12[CH2:2][CH:3]([C:9](=[O:10])[O:11][CH:12]([c:13]3[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]3)[c:20]3[cH:21][c:22]([F:26])[cH:23][cH:24][cH:25]3)[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2>>[Br-:27].[N+:1]12([CH2:28][C:29](=[O:30])[c:31]3[cH:32][c:33]([C:36](=[O:37])[O:38][CH2:39][CH3:40])[n:34][o:35]3)[CH2:2][CH:3]([C:9](=[O:10])[O:11][CH:12]([c:13]3[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]3)[c:20]3[cH:21][c:22]([F:26])[cH:23][cH:24][cH:25]3)[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 2736373Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylateHCID 70925896Bis(3-fluorophenyl)methyl quinuclidine-3-carboxylate

Product 2

HCID 259Bromide ionHCID 86672941HCID 86672941, compound

Sources & evidence

ORD record
ord-f5ebed6101264b7188754ed4e4435dfb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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