Acetic Acid → HCID 59394952, compound

HRID 666107Notes

Reaction equation

HRID 666107 reaction equation
[C:1]([O:2][c:3]1[c:4]([CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:5][c:6]([C:12]#[C:13][CH2:14][N:15]([CH3:16])[CH3:17])[c:7]([N+:9]([O-:10])=[O:11])[cH:8]1)([O:23][CH3:24])=[O:25].[CH3:26][C:27](=[O:28])[OH:29].[CH3:31][OH:32].[OH2:30]>>[C:1]([O:2][c:3]1[c:4]([CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:5][c:6]([C:12]#[C:13][CH2:14][N:15]([CH3:16])[CH3:17])[c:7]([NH2:9])[cH:8]1)([O:23][CH3:24])=[O:25]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 962WaterHCID 59395015HCID 59395015, compound

Product 1

HCID 59394952HCID 59394952, compound

Sources & evidence

ORD record
ord-30d9e66838e2493dab32fcb8fea25117
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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