Hydrochloric Acid → 1-Cyclopropyl-6-fluoro-8-methyl-7-[2-(p-toluenesulfonyl)isoindolin-5-yl]-1,4-dihydro-4-oxoquinoline-3 carboxylic acid

HRID 1547035Notes

Reaction equation

HRID 1547035 reaction equation
[CH3:50][CH2:51][OH:52].[CH:1]1([n:4]2[cH:5][c:6]([C:36](=[O:37])[O:38][CH2:39][CH3:40])[c:7](=[O:35])[c:8]3[cH:9][c:10]([F:34])[c:11](-[c:15]4[cH:16][c:17]5[c:21]([cH:22][cH:23]4)[CH2:20][N:19]([S:24](=[O:25])(=[O:26])[c:27]4[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]4)[CH2:18]5)[c:12]([CH3:14])[c:13]23)[CH2:2][CH2:3]1.[ClH:49].[Na+:42].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[OH-:41]>>[CH:1]1([n:4]2[cH:5][c:6]([C:36](=[O:37])[OH:38])[c:7](=[O:35])[c:8]3[cH:9][c:10]([F:34])[c:11](-[c:15]4[cH:16][c:17]5[c:21]([cH:22][cH:23]4)[CH2:20][N:19]([S:24](=[O:25])(=[O:26])[c:27]4[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]4)[CH2:18]5)[c:12]([CH3:14])[c:13]23)[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 312751,4-DioxaneHCID 15870841HCID 15870841, compound

Product 1

HCID 158708471-Cyclopropyl-6-fluoro-8-methyl-7-[2-(p-toluenesulfonyl)isoindolin-5-yl]-1,4-dihydro-4-oxoquinoline-3 carboxylic acid

Sources & evidence

ORD record
ord-f13370d1460d446f9a51051ef1540c6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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