Hydrogen Bromide → 6,8-Difluoro-7-[3,7-diazabicyclo[3.3.0]oct-1(5)-en-3-yl]-1-(2-fluoroethyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

HRID 673692Notes

Reaction equation

HRID 673692 reaction equation
[BrH:21].[BrH:22].[C:23]12=[C:27]([CH2:26][NH:25][CH2:24]1)[CH2:28][NH:29][CH2:30]2.[CH3:42][C:43]#[N:44].[F:1][CH2:2][CH2:3][n:4]1[cH:5][c:6]([C:18](=[O:19])[OH:20])[c:7](=[O:17])[c:8]2[cH:9][c:10]([F:16])[c:11]([F:15])[c:12]([F:14])[c:13]12.[N:31]12[CH2:32][CH2:33][CH2:34][N:35]=[C:36]1[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2>>[F:1][CH2:2][CH2:3][n:4]1[cH:5][c:6]([C:18](=[O:19])[OH:20])[c:7](=[O:17])[c:8]2[cH:9][c:10]([F:16])[c:11]([N:25]3[CH2:24][C:23]4=[C:27]([CH2:26]3)[CH2:28][NH:29][CH2:30]4)[c:12]([F:14])[c:13]12

Participants

6

Reactant 5

HCID 260Hydrogen Bromide2×HCID 6342AcetonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 127709081-(2-Fluoroethyl)-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acidHCID 151922531,2,3,4,5,6-Hexahydropyrrolo[3,4-c]pyrrole

Product 1

HCID 199082516,8-Difluoro-7-[3,7-diazabicyclo[3.3.0]oct-1(5)-en-3-yl]-1-(2-fluoroethyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-bc3e6535c7924aa5aa827c87d1832783
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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