Toluene → Bromide ion

HRID 121594Notes

Reaction equation

HRID 121594 reaction equation
[Br:1][CH2:2][c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][cH:10][c:11]([CH:14]3[CH:15]([CH2:26][CH2:27][CH:28]([OH:29])[c:30]4[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]4)[C:16](=[O:25])[N:17]3[c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[cH:12][cH:13]2)[cH:37][cH:38][cH:39]1.[CH2:40]1[CH2:41][N:42]2[CH2:43][CH2:44][N:45]1[CH2:46][CH2:47]2.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[Br-:1].[CH2:2]([c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][cH:10][c:11]([CH:14]3[CH:15]([CH2:26][CH2:27][CH:28]([OH:29])[c:30]4[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]4)[C:16](=[O:25])[N:17]3[c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[cH:12][cH:13]2)[cH:37][cH:38][cH:39]1)[N+:42]12[CH2:41][CH2:40][N:45]([CH2:44][CH2:43]1)[CH2:46][CH2:47]2

Participants

5

Reactant 3

HCID 1140TolueneHCID 9237DabcoHCID 210831844-[4-(3-Bromomethylbenzyloxy)phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one

Product 2

HCID 259Bromide ionHCID 210831484-[4-[[3-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one

Sources & evidence

ORD record
ord-556d3170467d45048b624116a79c2175
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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