Ethanol → HCID 73742869, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH:15]=[C:16]([C:17]#[C:18][c:19]2[cH:20][c:21]([C:25]#[C:26][C:27](=[CH:28][CH2:29][O:30][c:31]3[cH:32][cH:33][c:34]([CH2:37][CH:38]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[O:44][CH2:45][CH3:46])[cH:35][cH:36]3)[CH3:47])[cH:22][cH:23][cH:24]2)[CH3:48])[cH:11][cH:12]1)[O:49][CH2:50][CH3:51])=[O:52].[CH3:55][CH2:56][OH:57].[Na+:54].[OH-:53]>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH:15]=[C:16]([C:17]#[C:18][c:19]2[cH:20][c:21]([C:25]#[C:26][C:27](=[CH:28][CH2:29][O:30][c:31]3[cH:32][cH:33][c:34]([CH2:37][CH:38]([C:39](=[O:40])[OH:41])[O:44][CH2:45][CH3:46])[cH:35][cH:36]3)[CH3:47])[cH:22][cH:23][cH:24]2)[CH3:48])[cH:11][cH:12]1)[O:49][CH2:50][CH3:51])=[O:52]Participants
5
Sources & evidence
- ORD record
- ord-704c3e31e60046a29bb2217dd65198fc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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