Acetic Acid → HCID 68933819, compound

HRID 154435Notes

Reaction equation

HRID 154435 reaction equation
[CH3:27][C:28](=[O:29])[OH:30].[F:1][c:2]1[c:3]([C:20]#[N:21])[cH:4][c:5]2[c:6]([CH:11]=[CH:12][c:13]3[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]3)[n:7][nH:8][c:9]2[cH:10]1.[OH2:31].[S:22]([OH:23])(=[O:24])(=[O:25])[OH:26]>>[F:1][c:2]1[c:3]([C:20]([NH2:21])=[O:23])[cH:4][c:5]2[c:6]([CH:11]=[CH:12][c:13]3[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]3)[n:7][nH:8][c:9]2[cH:10]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 68930266HCID 68930266, compound

Product 1

HCID 68933819HCID 68933819, compound

Sources & evidence

ORD record
ord-d52eb90f5d7742aaa5b5f9b73940a2b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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