Bromide ion → Bromide ion

HRID 190869Notes

Reaction equation

HRID 190869 reaction equation
[Br-:1].[Br-:20].[CH:40]1([C:45]([C:46](=[O:47])[OH:48])([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[OH:55])[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH:21][CH:22]1[CH2:23][N+:24]2([CH2:30][C:31]([NH:32][c:33]3[n:34][cH:35][cH:36][n:37][cH:38]3)=[O:39])[CH2:25][CH2:26][CH:27]1[CH2:28][CH2:29]2.[OH:2][CH:3]1[CH:4]2[CH2:5][CH2:6][N+:7]([CH2:8][C:9](=[O:10])[NH:11][c:12]3[cH:13][cH:14][o:15][n:16]3)([CH2:17][CH2:18]2)[CH2:19]1>>[Br-:1].[O:21]([CH:22]1[CH2:23][N+:24]2([CH2:30][C:31]([NH:32][c:33]3[n:34][cH:35][cH:36][n:37][cH:38]3)=[O:39])[CH2:25][CH2:26][CH:27]1[CH2:28][CH2:29]2)[C:46]([C:45]([CH:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1)([c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[OH:55])=[O:47]

Participants

6

Reactant 4

HCID 259Bromide ion2×HCID 98283alpha-Cyclopentylmandelic acidHCID 874377702-(3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)-N-pyrazin-2-ylacetamideHCID 874377842-(3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)-N-(1,2-oxazol-3-yl)acetamide

Product 2

HCID 259Bromide ionHCID 178521173HCID 178521173, compound

Sources & evidence

ORD record
ord-1996717d7ac0495e80114f972f73ca79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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