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

HRID 689169Notes

Reaction equation

HRID 689169 reaction equation
[BrH:21].[BrH:22].[CH2:23]([CH3:24])[N:25]1[CH2:26][C:27]2=[C:31]([CH2:30][NH:29][CH2:28]2)[CH2:32]1.[CH3:33][C:34]#[N:35].[CH:1]1([n:4]2[cH:5][c:6]([C:18](=[O:19])[OH:20])[c:7](=[O:17])[c:8]3[cH:9][c:10]([F:16])[c:11]([F:15])[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1>>[CH:1]1([n:4]2[cH:5][c:6]([C:18](=[O:19])[OH:20])[c:7](=[O:17])[c:8]3[cH:9][c:10]([F:16])[c:11]([N:29]4[CH2:28][C:27]5=[C:31]([CH2:30]4)[CH2:32][N:25]([CH2:23][CH3:24])[CH2:26]5)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 260Hydrogen Bromide2×HCID 6342AcetonitrileHCID 5354141-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidHCID 199082405-ethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole

Product 1

HCID 199082411-Cyclopropyl-6,8-difluoro-7-[7-ethyl-3,7-diazabicyclo [3.3.0] oct-1(5)-en-3-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-6ff0b6e001944d01897ed12a6a28e7ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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