Ethanol → HCID 2738130, compound

HRID 306661Notes

Reaction equation

HRID 306661 reaction equation
[C:1](=[O:2])([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][CH:10]1[CH2:11][CH:12]2[CH2:13][CH2:14][C:15]3=[C:16]4[C:17](=[O:37])[CH2:18][CH:19]([CH:20]([CH2:21][CH2:22][CH2:23][CH:24]([CH3:25])[CH3:26])[CH3:27])[C:28]4([CH3:36])[CH2:29][CH2:30][CH:31]3[C:32]2([CH3:35])[CH2:33][CH2:34]1.[CH2:49]([OH:50])[CH2:51][CH3:52].[CH3:45][OH:46].[CH3:53][CH2:54][OH:55].[Cl+3:38]([OH:39])([O-:40])([O-:41])[O-:42].[K+:44].[Na+:48].[OH-:43].[OH-:47]>>[OH:9][CH:10]1[CH2:11][CH:12]2[CH2:13][CH2:14][C:15]3=[C:16]4[C:17](=[O:37])[CH2:18][CH:19]([CH:20]([CH2:21][CH2:22][CH2:23][CH:24]([CH3:25])[CH3:26])[CH3:27])[C:28]4([CH3:36])[CH2:29][CH2:30][CH:31]3[C:32]2([CH3:35])[CH2:33][CH2:34]1

Participants

9

Sources & evidence

ORD record
ord-ef30da7614ed429d850bd7e4b1486708
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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