Hexane → HCID 22005388, compound

HRID 2153616Notes

Reaction equation

HRID 2153616 reaction equation
[C:33]([O:34][CH2:35][CH3:36])(=[O:37])[CH3:38].[CH3:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:24]([CH3:25])[CH3:26])[c:7]([CH:19]=[CH:20][CH2:21][CH2:22][CH3:23])[c:8](-[c:12]2[cH:13][c:14]([F:18])[cH:15][cH:16][cH:17]2)[c:9]1[CH2:10][OH:11]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:24]([CH3:25])[CH3:26])[c:7]([CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[c:8](-[c:12]2[cH:13][c:14]([F:18])[cH:15][cH:16][cH:17]2)[c:9]1[CH2:10][OH:11]

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 54185295HCID 54185295, compound

Product 1

HCID 22005388HCID 22005388, compound

Sources & evidence

ORD record
ord-af37b75829aa4a568949eb5ea20dbe7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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