Hexane → HCID 9805015, compound

HRID 2158634Notes

Reaction equation

HRID 2158634 reaction equation
[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[F:1][c:2]1[cH:3][c:4]([CH:14]([C:15](=[O:16])[O:17][CH2:18][CH2:19][C:20]2([CH3:41])[CH2:21][CH2:22][c:23]3[c:24]([c:26]([CH3:40])[c:27]([CH3:39])[c:28]([O:31][CH2:32][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[c:29]3[CH3:30])[O:25]2)[CH3:42])[cH:5][cH:6][c:7]1-[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1>>[F:1][c:2]1[cH:3][c:4]([CH:14]([C:15](=[O:16])[O:17][CH2:18][CH2:19][C:20]2([CH3:41])[CH2:21][CH2:22][c:23]3[c:24]([c:26]([CH3:40])[c:27]([CH3:39])[c:28]([OH:31])[c:29]3[CH3:30])[O:25]2)[CH3:42])[cH:5][cH:6][c:7]1-[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 18973233HCID 18973233, compound

Product 1

HCID 9805015HCID 9805015, compound

Sources & evidence

ORD record
ord-b445e0c2a3d54dd38c50a96ac864ede2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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