Hexane → HCID 22005096, compound

HRID 1138924Notes

Reaction equation

HRID 1138924 reaction equation
[C:35]([O:36][CH2:37][CH3:38])(=[O:39])[CH3:40].[CH3:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:26]([CH3:27])[CH3:28])[c:7]([CH:21]=[CH:22][CH2:23][CH2:24][CH3:25])[c:8](-[c:12]2[cH:13][cH:14][c:15]([CH:18]([CH3:19])[CH3:20])[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:26]([CH3:27])[CH3:28])[c:7]([CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[c:8](-[c:12]2[cH:13][cH:14][c:15]([CH:18]([CH3:19])[CH3:20])[cH:16][cH:17]2)[c:9]1[CH2:10][OH:11]

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 53747569HCID 53747569, compound

Product 1

HCID 22005096HCID 22005096, compound

Sources & evidence

ORD record
ord-ae10d0f7bb4848408bf57106981d9839
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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