Dimethyl Sulfoxide → (RS)-7-fluoro-8-{3-[4-(2-hydroxyethoxy)phenyl]-1-piperazinyl}-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

HRID 1227820Notes

Reaction equation

HRID 1227820 reaction equation
[CH3:39][S:40](=[O:41])[CH3:42].[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]3[n:8]([CH3:18])[cH:9][c:10]([C:15](=[O:16])[OH:17])[c:11](=[O:14])[c:12]3[cH:13]2)[cH:19][c:20]1[F:21].[OH2:38].[OH:22][CH2:23][CH2:24][O:25][c:26]1[cH:27][cH:28][c:29]([CH:32]2[NH:33][CH2:34][CH2:35][NH:36][CH2:37]2)[cH:30][cH:31]1>>[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]3[n:8]([CH3:18])[cH:9][c:10]([C:15](=[O:16])[OH:17])[c:11](=[O:14])[c:12]3[cH:13]2)[cH:19][c:20]1[N:36]1[CH2:35][CH2:34][NH:33][CH:32]([c:29]2[cH:28][cH:27][c:26]([O:25][CH2:24][CH2:23][OH:22])[cH:31][cH:30]2)[CH2:37]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 111970267,8-Difluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acidHCID 54120210(RS)-2-[4-(2-hydroxyethoxy)phenyl]piperazine

Product 1

HCID 54073247(RS)-7-fluoro-8-{3-[4-(2-hydroxyethoxy)phenyl]-1-piperazinyl}-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

Sources & evidence

ORD record
ord-3000b43db2014d9f90b0c53b31cf54b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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