Benzene, (3-bromopropoxy)- → Bromide ion

HRID 118201Notes

Reaction equation

HRID 118201 reaction equation
[N:1]12[CH2:2][CH2:3][C:4]([C:9]([OH:10])([c:11]3[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]3)[c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)([CH2:5][CH2:6]1)[CH2:7][CH2:8]2.[c:25]1([O:31][CH2:32][CH2:33][CH2:34][Br:35])[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[Br-:35].[N+:1]12([CH2:34][CH2:33][CH2:32][O:31][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:2][CH2:3][C:4]([C:9]([OH:10])([c:11]3[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]3)[c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)([CH2:5][CH2:6]1)[CH2:7][CH2:8]2

Participants

4

Reactant 2

HCID 68522Benzene, (3-bromopropoxy)-HCID 689591291-Azabicyclo[2.2.2]oct-4-yl[bis(4-fluorophenyl)]methanol

Product 2

HCID 259Bromide ionHCID 11606344Bis(4-fluorophenyl)-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol

Sources & evidence

ORD record
ord-fbe1390e70ff4d8e88dab8937ec29439
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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