Acetonitrile → 8-Chloro-1-cyclopropyl-7-(6,8-diazabicyclo[3.2.2]non-6-yl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

HRID 153757

Reaction equation

HRID 153757 reaction equation
[CH3:41][C:42]#[N:43].[CH:32]12[CH2:33][CH2:34][CH2:35][CH:36]([NH:37][CH2:38]1)[CH2:39][NH:40]2.[Cl:1][c:2]1[c:3]([F:20])[c:4]([F:19])[cH:5][c:6]2[c:7](=[O:18])[c:8]([C:15](=[O:16])[OH:17])[cH:9][n:10]([CH:12]3[CH2:13][CH2:14]3)[c:11]12.[N:21]12[CH2:22][CH2:23][CH2:24][N:25]=[C:26]1[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]2>>[Cl:1][c:2]1[c:3]([N:37]2[CH:36]3[CH2:35][CH2:34][CH2:33][CH:32]([CH2:38]2)[NH:40][CH2:39]3)[c:4]([F:19])[cH:5][c:6]2[c:7](=[O:18])[c:8]([C:15](=[O:16])[OH:17])[cH:9][n:10]([CH:12]3[CH2:13][CH2:14]3)[c:11]12

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 98359418-Chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidHCID 147746386,8-Diazabicyclo[3.2.2]nonane

Product 1

HCID 150859408-Chloro-1-cyclopropyl-7-(6,8-diazabicyclo[3.2.2]non-6-yl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

Sources & evidence

ORD record
ord-9e2b794c366d4a5b863d431ad634956a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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