Acetate → HCID 54482554, compound

HRID 2137831Notes

Reaction equation

HRID 2137831 reaction equation
[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([CH2:19][O:20][NH2:21])[cH:22][cH:23]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[CH3:24][C:25]([C:26](=[O:27])[O:28][CH2:29][CH3:30])([C:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)=[O:38])[CH3:39].[CH3:40][C:41](=[O:42])[OH:43].[CH3:45][C:46](=[O:47])[O-:48].[CH3:50][CH2:51][OH:52].[Na+:44].[OH2:49]>>[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([CH2:19][O:20][N:21]=[C:31]([C:25]([CH3:24])([C:26](=[O:27])[O:28][CH2:29][CH3:30])[CH3:39])[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:22][cH:23]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1

Participants

8

Reactant 7

HCID 175AcetateHCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 251309Ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoateHCID 223445934-(5-Methyl-2-phenyl4-oxazolylmethoxy)benzyloxyamine

Product 1

HCID 54482554HCID 54482554, compound

Sources & evidence

ORD record
ord-210254b5004346ceb34cc6493796e1a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…