Hexane → HCID 53697139, compound

HRID 296796Notes

Reaction equation

HRID 296796 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[c:16]([F:21])[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:27]([CH3:28])[CH3:29])[c:7]([CH:22]=[CH:23][CH2:24][CH2:25][CH3:26])[c:8](-[c:15]2[c:16]([F:21])[cH:17][cH:18][cH:19][cH:20]2)[c:9]1[CH2:10][OH:11]

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 67483831HCID 67483831, compound

Product 1

HCID 53697139HCID 53697139, compound

Sources & evidence

ORD record
ord-4ef080ac471b422bb9039791fcbefb82
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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