Acetic Acid → HCID 18697797, compound
Reaction equation
[CH3:13][CH2:14][O:15][C:16](=[O:17])[C:18]#[CH:19].[CH3:39][C:40](=[O:41])[OH:42].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[CH:20]([CH3:21])([CH3:22])[O:23][c:24]1[cH:25][c:26]([N+:36](=[O:37])[O-:38])[c:27]([CH:28]=[O:29])[cH:30][c:31]1[O:32][CH:33]([CH3:34])[CH3:35].[Li:8][CH2:9][CH2:10][CH2:11][CH3:12].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:48]>>[CH3:13][CH2:14][O:15][C:16](=[O:17])[C:18]#[C:19][CH:28]([c:27]1[c:26]([N+:36](=[O:37])[O-:38])[cH:25][c:24]([O:23][CH:20]([CH3:21])[CH3:22])[c:31]([O:32][CH:33]([CH3:34])[CH3:35])[cH:30]1)[OH:29]Participants
8
Sources & evidence
- ORD record
- ord-ba2dc30bb00944fba71e2b97754a4a11
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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