Hexane → HCID 54345918, compound

Reaction equation

[C:43]([O:44][CH2:45][CH3:46])(=[O:47])[CH3:48].[CH3:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:34]([CH3:35])[CH3:36])[c:7]([CH:29]=[CH:30][CH2:31][CH2:32][CH3:33])[c:8](-[c:15]2[cH:16][c:17]([O:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[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:34]([CH3:35])[CH3:36])[c:7]([CH:29]=[CH:30][CH2:31][CH2:32][CH3:33])[c:8](-[c:15]2[cH:16][c:17]([O:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:18][cH:19][cH:20]2)[c:9]1[CH2:10][OH:11]

Participants

Reactant 3

HCID 8058Hexane

HCID 8857Ethyl Acetate

HCID 67483422HCID 67483422, compound

Product 1

HCID 54345918HCID 54345918, compound

Sources & evidence

ORD record: ord-9dc8b839c04549d9bd66af6c7776f230
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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