Hydrogen Bromide → 7-[3,7-Diazabicyclo [3.3.0]oct-1(5)-en-3-yl]-6,8-difluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

HRID 148301Notes

Reaction equation

HRID 148301 reaction equation
[BrH:25].[BrH:26].[C:27]12=[C:31]([CH2:30][NH:29][CH2:28]1)[CH2:32][NH:33][CH2:34]2.[CH3:35][C:36]#[N:37].[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[cH:9][c:10]([C:22](=[O:23])[OH:24])[c:11](=[O:21])[c:12]3[cH:13][c:14]([F:20])[c:15]([F:19])[c:16]([F:18])[c:17]23)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[cH:9][c:10]([C:22](=[O:23])[OH:24])[c:11](=[O:21])[c:12]3[cH:13][c:14]([F:20])[c:15]([N:29]4[CH2:28][C:27]5=[C:31]([CH2:30]4)[CH2:32][NH:33][CH2:34]5)[c:16]([F:18])[c:17]23)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 260Hydrogen Bromide2×HCID 6342AcetonitrileHCID 137283301-(4-Fluorophenyl)-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acidHCID 151922531,2,3,4,5,6-Hexahydropyrrolo[3,4-c]pyrrole

Product 1

HCID 539601277-[3,7-Diazabicyclo [3.3.0]oct-1(5)-en-3-yl]-6,8-difluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-629703f8f7d14f15a9ed1fc61a2bd907
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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