Ethanol → HCID 73742882, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8]([O:12][CH2:13][CH:14]=[CH:15][C:16]#[C:17][c:18]2[cH:19][cH:20][c:21]([C:24]#[C:25][CH:26]=[CH:27][CH2:28][O:29][c:30]3[cH:31][c:32]([CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[cH:33][cH:34][cH:35]3)[cH:22][cH:23]2)[cH:9][cH:10][cH:11]1)=[O:42].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:56][CH2:57][OH:58].[Na+:44].[OH-:43]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8]([O:12][CH2:13][CH:14]=[CH:15][C:16]#[C:17][c:18]2[cH:19][cH:20][c:21]([C:24]#[C:25][CH:26]=[CH:27][CH2:28][O:29][c:30]3[cH:31][c:32]([CH2:36][C:37](=[O:38])[OH:39])[cH:33][cH:34][cH:35]3)[cH:22][cH:23]2)[cH:9][cH:10][cH:11]1)=[O:42]Participants
7
Sources & evidence
- ORD record
- ord-f7eeb606da5d4c6f8c2eb7b0672c0320
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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