Acetate → HCID 86660257, compound

HRID 1538494Notes

Reaction equation

HRID 1538494 reaction equation
[CH3:1][c:2]1[cH:3][c:4]([CH:26]=[O:27])[n:5]2[c:6]1[C:7]1([CH2:8][CH2:9][N:10]([C:13]([C:14]([F:15])([F:16])[F:17])=[O:18])[CH2:11][CH2:12]1)[O:19][c:20]1[c:21]-2[cH:22][cH:23][cH:24][cH:25]1.[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].[NH2:29][OH:30].[Na+:31].[Na+:47].[O-:43][C:44]([OH:45])=[O:46].[OH2:51]>>[CH3:1][c:2]1[cH:3][c:4]([C:26]#[N:29])[n:5]2[c:6]1[C:7]1([CH2:8][CH2:9][N:10]([C:13]([C:14]([F:15])([F:16])[F:17])=[O:18])[CH2:11][CH2:12]1)[O:19][c:20]1[c:21]-2[cH:22][cH:23][cH:24][cH:25]1

Participants

10

Reactant 9

HCID 175AcetateHCID 313Hydrochloric AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 787HydroxylamineHCID 923Sodium ion2×HCID 962WaterHCID 7918Acetic AnhydrideHCID 58551582HCID 58551582, compound

Product 1

HCID 86660257HCID 86660257, compound

Sources & evidence

ORD record
ord-1b44656e9c40418b9cff7a05974fc8de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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