Acetic Acid → HCID 20189988, compound

HRID 198552Notes

Reaction equation

HRID 198552 reaction equation
[CH3:34][C:35](=[O:36])[OH:37].[F:1][c:2]1[cH:3][c:4]([OH:9])[c:5]([OH:6])[cH:7][cH:8]1.[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[O:10]=[C:11]1[N:12]([C:20](=[O:21])[NH:22][CH:23]([C:24](=[O:25])[OH:26])[OH:27])[CH2:13][CH2:14][N:15]([CH2:18][CH3:19])[C:16]1=[O:17].[OH2:43].[S:38](=[O:39])(=[O:40])([OH:41])[OH:42]>>[F:1][c:2]1[cH:3][c:4]([OH:9])[c:5]([OH:6])[cH:7][c:8]1[CH:23]([NH:22][C:20]([N:12]1[C:11](=[O:10])[C:16](=[O:17])[N:15]([CH2:18][CH3:19])[CH2:14][CH2:13]1)=[O:21])[C:24](=[O:25])[OH:26]

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ion2×HCID 962WaterHCID 1118Sulfuric AcidHCID 19660Carbonate IonHCID 1604584-FluorocatecholHCID 12882021HCID 12882021, compound

Product 1

HCID 20189988HCID 20189988, compound

Sources & evidence

ORD record
ord-9d0f8be0e4f84d2bb5211e12de4fd2f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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