Acetate → HCID 66707795, compound

HRID 1238348Notes

Reaction equation

HRID 1238348 reaction equation
[CH3:1][C:2](=[O:3])[OH:4].[CH3:25][C:26](=[O:27])[O-:28].[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[CH3:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([CH:16]=[O:17])[s:15]2)[cH:18][cH:19]1.[N+:20](=[O:21])([O-:22])[CH3:23].[NH4+:24].[OH2:35]>>[CH3:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([CH:16]=[CH:23][N+:20](=[O:21])[O-:22])[s:15]2)[cH:18][cH:19]1

Participants

8

Reactant 7

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 962WaterHCID 6375NitromethaneHCID 8857Ethyl AcetateHCID 59255325HCID 59255325, compound

Product 1

HCID 66707795HCID 66707795, compound

Sources & evidence

ORD record
ord-c926a012e0414d66adc002ced211202d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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