Bromide ion → Bromide ion

HRID 160966Notes

Reaction equation

HRID 160966 reaction equation
[Br-:1].[Br-:36].[Br-:55].[CH:75]1([C:80]([C:81](=[O:82])[OH:83])([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[OH:90])[CH2:76][CH2:77][CH2:78][CH2:79]1.[OH:37][CH:38]1[CH:39]2[CH2:40][CH2:41][N+:42]([CH2:43][C:44](=[O:45])[NH:46][c:47]3[cH:48][cH:49][o:50][n:51]3)([CH2:52][CH2:53]2)[CH2:54]1.[OH:56][CH:57]1[CH2:58][N+:59]2([CH2:65][C:66]([NH:67][c:68]3[n:69][cH:70][cH:71][n:72][cH:73]3)=[O:74])[CH2:60][CH2:61][CH:62]1[CH2:63][CH2:64]2.[c:2]1([C:3]([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)([CH3:10])[C:11]([O:12][CH:13]2[CH:14]3[CH2:15][CH2:16][N+:17]([CH2:18][C:19](=[O:20])[NH:21][c:22]4[cH:23][cH:24][o:25][n:26]4)([CH2:27][CH2:28]3)[CH2:29]2)=[O:30])[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[Br-:1].[O:56]([CH:57]1[CH2:58][N+:59]2([CH2:65][C:66]([NH:67][c:68]3[n:69][cH:70][cH:71][n:72][cH:73]3)=[O:74])[CH2:60][CH2:61][CH:62]1[CH2:63][CH2:64]2)[C:81]([C:80]([CH:75]1[CH2:76][CH2:77][CH2:78][CH2:79]1)([c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[OH:90])=[O:82]

Participants

7

Reactant 5

HCID 259Bromide ion3×HCID 98283alpha-Cyclopentylmandelic acidHCID 73059052HCID 73059052, compoundHCID 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-310a0c2291a845b7a99bf1087e6d0005
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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