Chloroform → Bromide ion

HRID 1567769Notes

Reaction equation

HRID 1567769 reaction equation
[Br:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[n:7][cH:8][n:9][cH:10][cH:11]1.[C:35](#[N:36])[CH3:37].[CH:38]([Cl:39])([Cl:40])[Cl:41].[N:12]12[CH2:13][CH:14]([O:20][C:21]([C:22]([c:23]3[s:24][cH:25][cH:26][cH:27]3)([c:28]3[s:29][cH:30][cH:31][cH:32]3)[OH:33])=[O:34])[CH:15]([CH2:16][CH2:17]1)[CH2:18][CH2:19]2>>[Br-:1].[CH2:2]([C:3](=[O:4])[NH:5][c:6]1[n:7][cH:8][n:9][cH:10][cH:11]1)[N+:12]12[CH2:13][CH:14]([O:20][C:21]([C:22]([c:23]3[s:24][cH:25][cH:26][cH:27]3)([c:28]3[s:29][cH:30][cH:31][cH:32]3)[OH:33])=[O:34])[CH:15]([CH2:16][CH2:17]1)[CH2:18][CH2:19]2

Participants

6

Reactant 4

HCID 6212ChloroformHCID 6342AcetonitrileHCID 30415331-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetateHCID 445419272-Bromo-N-pyrimidin-4-yl-acetamide

Product 2

HCID 259Bromide ionHCID 168315124[1-[2-Oxo-2-(pyrimidin-4-ylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate

Sources & evidence

ORD record
ord-0953bc6333394a3290b398cec8e46073
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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