Acetonitrile → 1-Cyclopropyl-7-(6,8-diazabicyclo[3.2.2]non-6-yl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid

HRID 676937Notes

Reaction equation

HRID 676937 reaction equation
[CH3:40][C:41]#[N:42].[CH:20]12[CH2:21][CH2:22][CH2:23][CH:24]([NH:25][CH2:26]1)[CH2:27][NH:28]2.[Cl:1][c:2]1[c:3]([F:19])[cH:4][c:5]2[c:6](=[O:18])[c:7]([C:15](=[O:16])[OH:17])[cH:8][n:9]([CH:12]3[CH2:13][CH2:14]3)[c:10]2[n:11]1.[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>>[c:2]1([N:25]2[CH:24]3[CH2:23][CH2:22][CH2:21][CH:20]([CH2:26]2)[NH:28][CH2:27]3)[c:3]([F:19])[cH:4][c:5]2[c:6](=[O:18])[c:7]([C:15](=[O:16])[OH:17])[cH:8][n:9]([CH:12]3[CH2:13][CH2:14]3)[c:10]2[n:11]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 110551427-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acidHCID 147746386,8-Diazabicyclo[3.2.2]nonane

Product 1

HCID 147746701-Cyclopropyl-7-(6,8-diazabicyclo[3.2.2]non-6-yl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Sources & evidence

ORD record
ord-58b48851632c4e39bd3c90c3b49ef0c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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