Hydrochloric Acid → 1-Cyclopropyl-6,8-difluoro-7-[3-(1,2,3-triazol-1-yl) azetidin-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

HRID 2130124Notes

Reaction equation

HRID 2130124 reaction equation
[CH2:31]1[CH2:32][CH2:33][C:34]2=[N:39][CH2:38][CH2:37][CH2:36][N:35]2[CH2:40][CH2:41]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]([F:15])[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1.[ClH:21].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1.[n:22]1([CH:27]2[CH2:28][NH:29][CH2:30]2)[n:23][n:24][cH:25][cH:26]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:29]4[CH2:28][CH:27]([n:22]5[n:23][n:24][cH:25][cH:26]5)[CH2:30]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 1049PyridineHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 5354141-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidHCID 190059931-(azetidin-3-yl)-1H-1,2,3-triazole

Product 1

HCID 543333531-Cyclopropyl-6,8-difluoro-7-[3-(1,2,3-triazol-1-yl) azetidin-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-20c345a75a13483ca0100720d145faab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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