Hydrogen Peroxide → Ethyl 3-(acetyloxy)-6-(3-chloro-4-fluorobenzyl)-4-methoxy-5-oxo-5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylate

HRID 1569860Notes

Reaction equation

HRID 1569860 reaction equation
[CH3:46][C:47](=[O:48])[O:49][C:50](=[O:51])[CH3:52].[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[C:7](=[O:23])[c:8]3[c:9]([O:21][CH3:22])[cH:10][n:11][c:12]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[c:13]3[CH2:14][CH2:15]2)[cH:24][cH:25][c:26]1[F:27].[Cl:53][CH2:54][Cl:55].[F:56][C:57]([F:58])([F:59])[C:60]([O:61][C:62](=[O:63])[C:64]([F:65])([F:66])[F:67])=[O:68].[K+:39].[K+:40].[NH2:30][C:31]([NH2:32])=[O:33].[Na+:45].[OH:28][OH:29].[P:34]([O-:35])([O-:36])([OH:37])=[O:38].[S:41](=[O:42])([OH:43])[O-:44]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[C:7](=[O:23])[c:8]3[c:9]([O:21][CH3:22])[c:10]([O:49][C:47]([CH3:46])=[O:48])[n:11][c:12]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[c:13]3[CH2:14][CH2:15]2)[cH:24][cH:25][c:26]1[F:27]

Participants

12

Reactant 11

HCID 784Hydrogen PeroxideHCID 813Potassium Cation2×HCID 923Sodium ionHCID 1140TolueneHCID 1176UreaHCID 6344DichloromethaneHCID 7918Acetic AnhydrideHCID 9845Trifluoroacetic anhydrideHCID 104748BisulfiteHCID 3681305Hydrogen phosphateHCID 59455605Ethyl 6-(3-chloro-4-fluorobenzyl)-4-methoxy-5-oxo-5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylate

Product 1

HCID 59455606Ethyl 3-(acetyloxy)-6-(3-chloro-4-fluorobenzyl)-4-methoxy-5-oxo-5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylate

Sources & evidence

ORD record
ord-04ea5df67bd3479d892c175915cead07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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