Dimethyl Sulfoxide → (RS)-3-ethoxycarbonyl-7,9-difluoro-8-[3-(4-methoxyphenyl)-1-piperazinyl]-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine

HRID 2152132Notes

Reaction equation

HRID 2152132 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7](=[O:24])[c:8]2[cH:9][c:10]3[c:11]([n:12][c:13]2[n:14]([CH3:16])[cH:15]1)[c:17]([F:23])[c:18]([F:22])[c:19]([F:21])[cH:20]3.[CH3:25][O:26][c:27]1[cH:28][cH:29][c:30]([CH:33]2[NH:34][CH2:35][CH2:36][NH:37][CH2:38]2)[cH:31][cH:32]1.[CH3:39][S:40](=[O:41])[CH3:42]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7](=[O:24])[c:8]2[cH:9][c:10]3[c:11]([n:12][c:13]2[n:14]([CH3:16])[cH:15]1)[c:17]([F:23])[c:18]([N:37]1[CH2:36][CH2:35][NH:34][CH:33]([c:30]2[cH:29][cH:28][c:27]([O:26][CH3:25])[cH:32][cH:31]2)[CH2:38]1)[c:19]([F:21])[cH:20]3

Participants

4

Reactant 3

HCID 679Dimethyl SulfoxideHCID 27717532-(4-methoxyphenyl)piperazineHCID 194236883-Ethoxycarbonyl-7,8,9-trifluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine

Product 1

HCID 54256626(RS)-3-ethoxycarbonyl-7,9-difluoro-8-[3-(4-methoxyphenyl)-1-piperazinyl]-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine

Sources & evidence

ORD record
ord-ba756ddfb9bd4acb99e97306daff89c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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