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

HRID 203612Notes

Reaction equation

HRID 203612 reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[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][CH:26]1[NH:27][CH2:28][CH2:29][NH:30][CH2:31]1.[CH3:39][S:40](=[O:41])[CH3:42].[K+:37].[K+:38].[OH2:32]>>[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:30]1[CH2:29][CH2:28][NH:27][CH:26]([CH3:25])[CH2:31]1)[c:19]([F:21])[cH:20]3

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 660572-MethylpiperazineHCID 194236883-Ethoxycarbonyl-7,8,9-trifluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine

Product 1

HCID 20063299(RS)-3-ethoxycarbonyl-7,9-difluoro-1-methyl-8-(3-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-benzo[b][1,8]naphthyridine

Sources & evidence

ORD record
ord-bb29bdb73af74e1c930d04e9cf2e18ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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