Hydrogen Bromide → 1-Ethyl-6,8-difluoro-1,4-dihydro-4-oxo-7-[5-(phenylmethyl)-2,5-diazabicyclo(2.2.1)hept-2-yl]-3-quinolinecarboxylic acid

HRID 1562556Notes

Reaction equation

HRID 1562556 reaction equation
[BrH:20].[BrH:21].[CH2:1]([CH3:2])[n:3]1[cH:4][c:5]([C:17](=[O:18])[OH:19])[c:6](=[O:16])[c:7]2[cH:8][c:9]([F:15])[c:10]([F:14])[c:11]([F:13])[c:12]12.[CH3:47][C:48]#[N:49].[N:36]12[CH2:37][CH2:38][CH2:39][N:40]=[C:41]1[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2.[c:22]1([CH2:28][N:29]2[CH:30]3[CH2:31][NH:32][CH:33]([CH2:34]2)[CH2:35]3)[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[CH2:1]([CH3:2])[n:3]1[cH:4][c:5]([C:17](=[O:18])[OH:19])[c:6](=[O:16])[c:7]2[cH:8][c:9]([F:15])[c:10]([N:32]3[CH2:31][CH:30]4[N:29]([CH2:28][c:22]5[cH:23][cH:24][cH:25][cH:26][cH:27]5)[CH2:34][CH:33]3[CH2:35]4)[c:11]([F:13])[c:12]12

Participants

6

Reactant 5

HCID 260Hydrogen Bromide2×HCID 6342AcetonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 5629322-Benzyl-2,5-diazabicyclo[2.2.1]heptaneHCID 98351791-Ethyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Product 1

HCID 135658241-Ethyl-6,8-difluoro-1,4-dihydro-4-oxo-7-[5-(phenylmethyl)-2,5-diazabicyclo(2.2.1)hept-2-yl]-3-quinolinecarboxylic acid

Sources & evidence

ORD record
ord-3f7c1eb0bdf84af48d042f0b527b06cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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