Acetic Acid → HCID 54195210, compound
Reaction equation
[CH3:1][O:2][C:3]([CH:4]([C:5]([CH2:6][CH2:7][CH2:8][CH2:9][O:10][c:11]1[cH:12][c:13](-[c:17]2[cH:18][s:19][cH:20][cH:21]2)[cH:14][cH:15][cH:16]1)=[O:22])[CH2:23][CH:24]=[CH:25][C:26]#[C:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32].[CH3:33][I:34].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH3:49][C:50](=[O:51])[OH:52].[H-:35].[Na+:36].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:48]>>[CH3:1][O:2][C:3]([C:4]([C:5]([CH2:6][CH2:7][CH2:8][CH2:9][O:10][c:11]1[cH:12][c:13](-[c:17]2[cH:18][s:19][cH:20][cH:21]2)[cH:14][cH:15][cH:16]1)=[O:22])([CH2:23][CH:24]=[CH:25][C:26]#[C:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH3:37])=[O:32]Participants
9
Sources & evidence
- ORD record
- ord-757c091e69ac4466b841b9043e23ab33
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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