Dimethylformamide → Bromide ion

HRID 206052Notes

Reaction equation

HRID 206052 reaction equation
[C:24](=[O:25])([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[NH:31][CH2:32][CH2:33][CH2:34][Br:35].[N:1]12[CH2:2][CH:3]([O:9][C:10]([C:11]([c:12]3[s:13][cH:14][cH:15][cH:16]3)([c:17]3[s:18][cH:19][cH:20][cH:21]3)[OH:22])=[O:23])[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2.[O:36]=[CH:37][N:38]([CH3:39])[CH3:40]>>[Br-:35].[N+:1]12([CH2:34][CH2:33][CH2:32][NH:31][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:2][CH:3]([O:9][C:10]([C:11]([c:12]3[s:13][cH:14][cH:15][cH:16]3)([c:17]3[s:18][cH:19][cH:20][cH:21]3)[OH:22])=[O:23])[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2

Participants

5

Reactant 3

HCID 6228DimethylformamideHCID 30415331-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetateHCID 4460490tert-butyl N-(3-bromopropyl)carbamate

Product 2

HCID 259Bromide ionHCID 11375595[1-[3-[(2-Methylpropan-2-yl)oxycarbonylamino]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate

Sources & evidence

ORD record
ord-a9e5175542854af58d0e86f0bb3df609
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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