Acetonitrile → 7-(7-Tert-butoxycarbonylamino-5-azaspiro[2,4]heptane-5-yl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

HRID 2310329Notes

Reaction equation

HRID 2310329 reaction equation
[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[NH:28][CH:29]1[CH2:30][NH:31][CH2:32][C:33]12[CH2:34][CH2:35]2.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][C:44]#[N:45].[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>>[Cl:1][c:2]1[c:3]([N:31]2[CH2:30][CH:29]([NH:28][C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[C:33]3([CH2:32]2)[CH2:34][CH2:35]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 8471TriethylamineHCID 98359418-Chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidHCID 14930995Tert-butyl 5-azaspiro[2.4]heptan-7-ylcarbamate

Product 1

HCID 224170877-(7-Tert-butoxycarbonylamino-5-azaspiro[2,4]heptane-5-yl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-4b18d85ae65d4616b2bf7ae5ad89c562
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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