Acetonitrile → 7-[2-(t-Butoxycarbonyl)-8-(methoxyimino)-2,6-diazaspiro[3,4]oct-6-yl]-1-cyclopropyl-6-fluoro-8-chloro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

HRID 2126469Notes

Reaction equation

HRID 2126469 reaction equation
[CH3:21][O:22][N:23]=[C:24]1[CH2:25][NH:26][CH2:27][C:28]12[CH2:29][N:30]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:31]2.[CH3:39][C:40]#[N:41].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[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]([Cl:14])[c:13]23)[CH2:2][CH2:3]1>>[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:26]4[CH2:25][C:24](=[N:23][O:22][CH3:21])[C:28]5([CH2:27]4)[CH2:29][N:30]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:31]5)[c:12]([Cl:14])[c:13]23)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 98359418-Chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidHCID 545476562,6-Diazaspiro[3.4]octane-2-carboxylic acid, 8-(methoxyimino)-, 1,1-dimethylethyl ester

Product 1

HCID 539055237-[2-(t-Butoxycarbonyl)-8-(methoxyimino)-2,6-diazaspiro[3,4]oct-6-yl]-1-cyclopropyl-6-fluoro-8-chloro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

Sources & evidence

ORD record
ord-8d0a94abe04a41d5a7cecaf113eead28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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