Acetic Acid → HCID 66997518, compound

HRID 1541150Notes

Reaction equation

HRID 1541150 reaction equation
[CH3:35][C:36](=[O:37])[OH:38].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[C:7](=[O:22])[c:8]3[c:9]([OH:21])[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:23][cH:24][c:25]1[F:26].[Na+:33].[Na+:34].[OH:27][OH:28].[S:29](=[O:30])([O-:31])[O-:32]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[C:7](=[O:22])[c:8]3[c:9]([OH:21])[cH:10][n+:11]([O-:30])[c:12]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[c:13]3[CH2:14][CH2:15]2)[cH:23][cH:24][c:25]1[F:26]

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 923Sodium ion2×HCID 1099SulfiteHCID 59455599Ethyl 6-(3-chloro-4-fluorobenzyl)-4-hydroxy-5-oxo-5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylate

Product 1

HCID 66997518HCID 66997518, compound

Sources & evidence

ORD record
ord-21f070b765ae49048dad10ad2044d012
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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