Acetic Acid → HCID 17862466, compound

HRID 197454Notes

Reaction equation

HRID 197454 reaction equation
[CH3:33][C:34](=[O:35])[OH:36].[CH:6]([CH3:7])([CH3:8])[NH:9][C:10](=[O:11])[n:12]1[n:13][c:14]([O:18][c:19]2[c:20]([N+:29](=[O:30])[O-:31])[cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)[cH:15][c:16]1[CH3:17].[OH2:32].[S:1]([Cl:2])(=[O:3])([Cl:4])=[O:5]>>[Cl:4][c:15]1[c:14]([O:18][c:19]2[c:20]([N+:29](=[O:30])[O-:31])[cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)[n:13][n:12]([C:10]([NH:9][CH:6]([CH3:7])[CH3:8])=[O:11])[c:16]1[CH3:17]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 24648Sulfuryl chlorideHCID 17862389HCID 17862389, compound

Product 1

HCID 17862466HCID 17862466, compound

Sources & evidence

ORD record
ord-188907187da740aaaa5cd656456decaf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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