Acetate → HCID 178496273, compound

HRID 2316656Notes

Reaction equation

HRID 2316656 reaction equation
[Br:1][c:2]1[c:3]([F:16])[c:4]([NH:8][C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[cH:5][cH:6][cH:7]1.[C:38]([O-:39])(=[O:40])[CH3:41].[CH3:18][CH2:19][O:20][C:21]([CH3:22])=[O:23].[CH3:28][O:29][CH2:30][C:31]([CH2:32][C:33](=[O:34])[O:35][CH3:36])=[O:37].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[CH3:50][CH2:51][OH:52].[ClH:17].[N:24]([O-:25])=[O:26].[Na+:27].[Na+:42].[OH2:49]>>[Br:1][c:2]1[c:3]([F:16])[c:4]([NH:8][N:24]=[C:32]([C:31]([CH2:30][O:29][CH3:28])=[O:37])[C:33](=[O:34])[O:35][CH3:36])[cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175AcetateHCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ion2×HCID 946NitriteHCID 962WaterHCID 8857Ethyl Acetate2×HCID 123500Methyl 4-methoxyacetoacetateHCID 66729642HCID 66729642, compound

Product 1

HCID 178496273HCID 178496273, compound

Sources & evidence

ORD record
ord-e1ba45ddf423407fb5120262ae2d0574
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…