Hexane → HCID 73858735, compound

HRID 212616Notes

Reaction equation

HRID 212616 reaction equation
[C:37]([O:38][CH2:39][CH3:40])(=[O:41])[CH3:42].[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:28]([CH3:29])[CH3:30])[c:7]([CH:23]=[CH:24][CH2:25][CH2:26][CH3:27])[c:8](-[c:15]2[c:16]([C:21]#[CH:22])[cH:17][cH:18][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:28]([CH3:29])[CH3:30])[c:7]([CH:23]=[CH:24][CH2:25][CH2:26][CH3:27])[c:8](-[c:15]2[c:16]([C:21]#[CH:22])[cH:17][cH:18][cH:19][cH:20]2)[c:9]1[CH2:10][OH:11]

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 86756634HCID 86756634, compound

Product 1

HCID 73858735HCID 73858735, compound

Sources & evidence

ORD record
ord-05e5342419644227a4ac5fa9e19d17bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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