Hexane → HCID 53966235, compound

HRID 1209446Notes

Reaction equation

HRID 1209446 reaction equation
[C:36]([O:37][CH2:38][CH3:39])(=[O:40])[CH3:41].[CH3:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:27]([CH3:28])[CH3:29])[c:7]([CH:22]=[CH:23][CH2:24][CH2:25][CH3:26])[c:8](-[c:15]2[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[c:9]1[C:10](=[O:11])[O:12][CH2:13][CH3:14]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:27]([CH3:28])[CH3:29])[c:7]([CH:22]=[CH:23][CH2:24][CH2:25][CH3:26])[c:8](-[c:15]2[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[c:9]1[CH2:10][OH:11]

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 67483313HCID 67483313, compound

Product 1

HCID 53966235HCID 53966235, compound

Sources & evidence

ORD record
ord-04c1bf5d8de047d8b93c8004b895b698
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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