Acetic Acid → HCID 178488970, compound

HRID 1146677Notes

Reaction equation

HRID 1146677 reaction equation
[CH3:26][C:27](=[O:28])[OH:29].[CH3:30][CH2:31][O:32][C:33]([CH3:34])=[O:35].[CH3:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41].[CH:1]1([O:6][c:7]2[cH:8][c:9](-[c:15]3[nH:16][cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[n:19]3)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1.[NH4+:24].[OH-:25]>>[CH:1]1([O:6][c:7]2[cH:8][c:9](-[c:15]3[nH:16][cH:17][c:18]([C:20]#[N:24])[n:19]3)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 223AmmoniumHCID 961HydroxideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 178488963HCID 178488963, compound

Product 1

HCID 178488970HCID 178488970, compound

Sources & evidence

ORD record
ord-8b0291ff3fe74761a3b383897d708a83
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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