Acetic Acid → HCID 54359940, compound

HRID 162059Notes

Reaction equation

HRID 162059 reaction equation
[C:20]([OH:21])(=[O:22])[CH3:23].[CH2:18]=[O:19].[CH3:24][C:25]#[N:26].[Cl:1][c:2]1[c:3]([O:4][CH2:5][CH:6]2[NH:7][CH2:8][CH2:9][CH2:10]2)[cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]1>>[Cl:1][c:2]1[c:3]([O:4][CH2:5][CH:6]2[N:7]([CH3:20])[CH2:8][CH2:9][CH2:10]2)[cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 712FormaldehydeHCID 6342AcetonitrileHCID 54140908HCID 54140908, compound

Product 1

HCID 54359940HCID 54359940, compound

Sources & evidence

ORD record
ord-fbb26df357ee4a82815cb5306b798d5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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