Acetic Acid → 8-Bromoquinoline-5-carbonitrile

HRID 2143729Notes

Reaction equation

HRID 2143729 reaction equation
[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:50][C:51](=[O:52])[OH:53].[ClH:1].[Cu+2:37].[Cu:22][C:23]#[N:24].[N:14]([O-:15])=[O:16].[NH2:18][C:19](=[O:20])[NH2:21].[NH2:2][c:3]1[c:4]2[cH:5][cH:6][cH:7][n:8][c:9]2[c:10]([Br:13])[cH:11][cH:12]1.[NH3:32].[Na+:17].[Na:33][C:34]#[N:35].[O-:38][S:39](=[O:40])(=[O:41])[O-:42].[OH2:36].[c:25]1([CH3:26])[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[c:3]1([C:19]#[N:18])[c:4]2[cH:5][cH:6][cH:7][n:8][c:9]2[c:10]([Br:13])[cH:11][cH:12]1

Participants

14

Reactant 13

HCID 176Acetic AcidHCID 222AmmoniaHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 1117Sulfate IonHCID 1140Toluene2×HCID 1176UreaHCID 27099Cupric cationHCID 129500548-Bromoquinolin-5-amineHCID 178418546HCID 178418546, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 184030268-Bromoquinoline-5-carbonitrile

Sources & evidence

ORD record
ord-92b5338196eb4a24a4b7a92a98bcf765
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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