Acetate → HCID 58550744, compound

HRID 138108Notes

Reaction equation

HRID 138108 reaction equation
[CH3:32][C:33](=[O:34])[O-:35].[CH3:36][C:37]([O:38][C:39]([CH3:40])=[O:41])=[O:42].[CH3:48][CH2:49][OH:50].[ClH:28].[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1-[n:8]1[c:9]([cH:10][cH:11][c:12]1[CH:13]=[O:14])[C:15]1([CH2:16][CH2:17][N:18]([C:21]([C:22]([F:23])([F:24])[F:25])=[O:26])[CH2:19][CH2:20]1)[O:27]2.[NH2:29][OH:30].[Na+:31].[Na+:47].[O-:43][C:44]([OH:45])=[O:46].[OH2:51]>>[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1-[n:8]1[c:9]([cH:10][cH:11][c:12]1[C:13]#[N:29])[C:15]1([CH2:16][CH2:17][N:18]([C:21]([C:22]([F:23])([F:24])[F:25])=[O:26])[CH2:19][CH2:20]1)[O:27]2

Participants

10

Reactant 9

HCID 175AcetateHCID 313Hydrochloric AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 787HydroxylamineHCID 923Sodium ion2×HCID 962WaterHCID 7918Acetic AnhydrideHCID 58551192HCID 58551192, compound

Product 1

HCID 58550744HCID 58550744, compound

Sources & evidence

ORD record
ord-ab5345c30bce4e708bc86d23eb35d1c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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