Acetate → HCID 91468940, compound

HRID 1130547Notes

Reaction equation

HRID 1130547 reaction equation
[CH3:35][C:36](=[O:37])[O-:38].[CH3:39][C:40](=[O:41])[OH:42].[CH:1]1([NH:7][c:8]2[c:9]([F:26])[cH:10][c:11]3[c:12](=[O:25])[c:13]([CH:23]=[O:24])[cH:14][n:15]([CH:18]4[CH2:19][CH2:20][CH2:21][CH2:22]4)[c:16]3[cH:17]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:34].[S:27]=[C:28]1[SH:29]=[CH:30][C:31](=[O:33])[NH:32]1>>[CH:1]1([NH:7][c:8]2[c:9]([F:26])[cH:10][c:11]3[c:12](=[O:25])[c:13]([CH:23]=[C:30]4[S:29][C:28](=[S:27])[NH:32][C:31]4=[O:33])[cH:14][n:15]([CH:18]4[CH2:19][CH2:20][CH2:21][CH2:22]4)[c:16]3[cH:17]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 175AcetateHCID 176Acetic AcidHCID 923Sodium ionHCID 866330517-(Cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carbaldehydeHCID 178516955HCID 178516955, compound

Product 1

HCID 91468940HCID 91468940, compound

Sources & evidence

ORD record
ord-cc4dac994b6b4ae4a085a925157646b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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