Acetonitrile → 1-Cyclopropyl-7-(1,4-diazabicyclo[3.2.1]octan-4-yl)-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid

HRID 1211526Notes

Reaction equation

HRID 1211526 reaction equation
[CH3:40][C:41]#[N:42].[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.[N:21]12[CH2:22][CH2:23][NH:24][CH:25]([CH2:26][CH2:27]1)[CH2:28]2.[N:29]12[CH2:30][CH2:31][CH2:32][N:33]=[C:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2>>[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:24]4[CH2:23][CH2:22][N:21]5[CH2:27][CH2:26][CH:25]4[CH2:28]5)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 5354141-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidHCID 123740771,4-Diazabicyclo[3.2.1]octane

Product 1

HCID 4618911-Cyclopropyl-7-(1,4-diazabicyclo[3.2.1]octan-4-yl)-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-452c60e8650342b4b7107c18969dfd4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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