Hydrogen Bromide → 1-Cyclopropyl-7-[3,7-diazabicyclo[3.3.0] oct-1(5)-en-3-yl]-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

HRID 678886Notes

Reaction equation

HRID 678886 reaction equation
[BrH:20].[BrH:21].[C:22]12=[C:26]([CH2:25][NH:24][CH2:23]1)[CH2:27][NH:28][CH2:29]2.[CH3:39][C:40]#[N:41].[CH:1]1([n:4]2[cH:5][c:6]([C:17](=[O:18])[OH:19])[c:7](=[O:16])[c:8]3[cH:9][c:10]([F:15])[c:11]([F:14])[cH:12][c:13]23)[CH2:2][CH2:3]1.[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38]>>[CH:1]1([n:4]2[cH:5][c:6]([C:17](=[O:18])[OH:19])[c:7](=[O:16])[c:8]3[cH:9][c:10]([F:15])[c:11]([N:24]4[CH2:23][C:22]5=[C:26]([CH2:25]4)[CH2:27][NH:28][CH2:29]5)[cH:12][c:13]23)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 260Hydrogen Bromide2×HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 52104221-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acidHCID 151922531,2,3,4,5,6-Hexahydropyrrolo[3,4-c]pyrrole

Product 1

HCID 199082481-Cyclopropyl-7-[3,7-diazabicyclo[3.3.0] oct-1(5)-en-3-yl]-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-e59aba4e969148b9b4c01f7315939d40
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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