Acetate → HCID 173023562, compound

HRID 178683Notes

Reaction equation

HRID 178683 reaction equation
[C:44](=[O:45])([OH:46])[O-:47].[CH3:2][C:3](=[O:4])[O-:5].[CH3:49][CH2:50][OH:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl-:6].[F:9][c:10]1[cH:11][c:12]([C:16]2([CH:41]=[O:42])[c:17]3[n:18]([n:22][c:23]([CH:25]=[CH:26][c:27]4[cH:28][c:29]([O:39][CH3:40])[c:30](-[n:33]5[cH:34][n:35][c:36]([CH3:38])[cH:37]5)[cH:31][cH:32]4)[n:24]3)[CH2:19][CH2:20][CH2:21]2)[cH:13][cH:14][cH:15]1.[Na+:1].[Na+:48].[OH2:43].[OH:7][NH3+:8]>>[OH:7][N:8]=[CH:41][C:16]1([c:12]2[cH:11][c:10]([F:9])[cH:15][cH:14][cH:13]2)[c:17]2[n:18]([n:22][c:23]([CH:25]=[CH:26][c:27]3[cH:28][c:29]([O:39][CH3:40])[c:30](-[n:33]4[cH:34][n:35][c:36]([CH3:38])[cH:37]4)[cH:31][cH:32]3)[n:24]2)[CH2:19][CH2:20][CH2:21]1

Participants

10

Reactant 9

HCID 175AcetateHCID 312ChlorideHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 933HydroxyammoniumHCID 962WaterHCID 8857Ethyl AcetateHCID 90763349HCID 90763349, compound

Product 1

HCID 173023562HCID 173023562, compound

Sources & evidence

ORD record
ord-e366d8528828479eb05eb14baf8a3152
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…