Bromide ion → HCID 59226974, compound

HRID 212154Notes

Reaction equation

HRID 212154 reaction equation
[Br-:49].[Br:1][c:2]1[c:3]([NH:23][C:24]([c:25]2[cH:26][c:27]([N+:33]([O-:34])=[O:35])[c:28]([C:31]#[N:32])[cH:29][cH:30]2)=[O:36])[c:4]([CH2:21][CH3:22])[cH:5][c:6]([C:8]([C:9]([C:10]([F:11])([F:12])[F:13])([F:14])[F:15])([C:16]([F:17])([F:18])[F:19])[F:20])[cH:7]1.[CH3:50][CH2:51][CH2:52][CH2:53][N+:54]([CH2:55][CH2:56][CH2:57][CH3:58])([CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH2:65][CH3:66].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[Na+:38].[Na+:43].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH-:37].[S:39]([O-:40])([OH:41])=[O:42]>>[Br:1][c:2]1[c:3]([NH:23][C:24]([c:25]2[cH:26][c:27]([NH2:33])[c:28]([C:31]#[N:32])[cH:29][cH:30]2)=[O:36])[c:4]([CH2:21][CH3:22])[cH:5][c:6]([C:8]([C:9]([C:10]([F:11])([F:12])[F:13])([F:14])[F:15])([C:16]([F:17])([F:18])[F:19])[F:20])[cH:7]1

Participants

9

Reactant 8

HCID 259Bromide ionHCID 923Sodium ion2×HCID 961HydroxideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 104748BisulfiteHCID 59226962HCID 59226962, compound

Product 1

HCID 59226974HCID 59226974, compound

Sources & evidence

ORD record
ord-9839b6ba097d4840b543a73a547baf88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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