Acetic Acid → HCID 178468381, compound

HRID 312968Notes

Reaction equation

HRID 312968 reaction equation
[CH3:41][C:42](=[O:43])[OH:44].[F:1][c:2]1[cH:3][c:4]([C:15]([CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)([c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[NH:30][C:31]([CH2:32][C:33]([CH3:34])=[O:35])=[O:36])[cH:5][c:6]([O:8][C:9]([CH:10]([F:11])[F:12])([F:13])[F:14])[cH:7]1.[N:37](=[O:38])[O-:39].[Na+:40].[OH2:45]>>[F:1][c:2]1[cH:3][c:4]([C:15]([CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)([c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[NH:30][C:31]([C:32]([C:33]([CH3:34])=[O:35])=[N:37][OH:38])=[O:36])[cH:5][c:6]([O:8][C:9]([CH:10]([F:11])[F:12])([F:13])[F:14])[cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 74065211N-[1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-oxobutanamide

Product 1

HCID 178468381HCID 178468381, compound

Sources & evidence

ORD record
ord-f3655724ca734a5cab840497093380eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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