Acetate → HCID 23158124, compound

HRID 1567870Notes

Reaction equation

HRID 1567870 reaction equation
[Br:33].[C:35](=[O:36])([OH:37])[OH:38].[CH3:29][C:30]([O-:31])=[O:32].[CH3:39][C:40](=[O:41])[OH:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH:1]([CH3:2])([CH3:3])[N:4]1[C:5](=[O:27])[c:6]2[cH:7][cH:8][c:9](-[c:13]3[n:14][n:15][n:16](-[c:19]4[c:20]([F:26])[cH:21][c:22]([F:25])[cH:23][cH:24]4)[c:17]3[CH3:18])[cH:10][c:11]2[CH2:12]1.[Na+:28].[OH2:34]>>[CH:1]([CH3:2])([CH3:3])[N:4]1[C:5](=[O:27])[c:6]2[cH:7][cH:8][c:9](-[c:13]3[n:14][n:15][n:16](-[c:19]4[c:20]([F:26])[cH:21][c:22]([F:25])[cH:23][cH:24]4)[c:17]3[CH3:18])[cH:10][c:11]2[C:12]1=[O:31]

Participants

9

Reactant 8

HCID 175AcetateHCID 176Acetic AcidHCID 260Hydrogen BromideHCID 767Carbonic AcidHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 15985251HCID 15985251, compound

Product 1

HCID 23158124HCID 23158124, compound

Sources & evidence

ORD record
ord-bd2baf1163944c628d6cd1f27379f1a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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