Toluene → Bromide ion

HRID 1240667

Reaction equation

[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH:15]([CH2:16][CH2:17][CH:18]3[C:19](=[O:37])[N:20]([c:30]4[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]4)[CH:21]3[c:22]3[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]3)[OH:38])[cH:13][cH:14]2)[cH:39][cH:40]1.[CH2:41]1[CH2:42][N:43]2[CH2:44][CH2:45][N:46]1[CH2:47][CH2:48]2.[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[Br-:1].[CH2:2]([c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH:15]([CH2:16][CH2:17][CH:18]3[C:19](=[O:37])[N:20]([c:30]4[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]4)[CH:21]3[c:22]3[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]3)[OH:38])[cH:13][cH:14]2)[cH:39][cH:40]1)[N+:43]12[CH2:42][CH2:41][N:46]([CH2:45][CH2:44]1)[CH2:47][CH2:48]2

Participants

Reactant 3

HCID 1140Toluene

HCID 9237Dabco

HCID 210831783-{3-[4-(4-Bromomethylbenzyloxy)-phenyl]-3-hydroxypropyl}-1-(4-fluorophenyl)4-(4-methoxyphenyl)-azetidin-2-one

Product 2

HCID 259Bromide ion

HCID 210831623-[3-[4-[[4-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]methoxy]phenyl]-3-hydroxypropyl]-1-(4-fluorophenyl)-4-(4-methoxyphenyl)azetidin-2-one

Sources & evidence

ORD record: ord-b4e675253570496cb788e6533f71a25d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Linked notes

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