Acetic Acid → HCID 58532572, compound

HRID 679995Notes

Reaction equation

HRID 679995 reaction equation
[CH3:46][C:47](=[O:48])[OH:49].[F:22][c:23]1[cH:24][cH:25][c:26]([N+:33](=[O:34])[O-:35])[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12.[H-:20].[Na+:21].[Na+:40].[O-:36][C:37]([OH:38])=[O:39].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH:1][CH2:2][C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([NH:12][C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[n:9][cH:10][cH:11]1>>[O:1]([CH2:2][C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([NH:12][C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[n:9][cH:10][cH:11]1)[c:23]1[cH:24][cH:25][c:26]([N+:33](=[O:34])[O-:35])[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 166653HydrideHCID 2617641-Fluoro-4-nitronaphthaleneHCID 58532557HCID 58532557, compound

Product 1

HCID 58532572HCID 58532572, compound

Sources & evidence

ORD record
ord-a232338020674917b07c7462d7e4d324
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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