Acetic Acid → HCID 14148373, compound
Reaction equation
[C:35]([OH:36])([CH3:37])([CH3:38])[CH3:39].[C:9]([CH3:10])([CH3:11])([CH3:12])[c:13]1[c:14]([OH:23])[c:15]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:16][cH:17][cH:18]1.[CH2:24]([CH2:25][CH2:26][CH3:27])[N:28]1[C:29](=[O:34])[CH:30]=[CH:31][C:32]1=[O:33].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:41][C:42](=[O:43])[OH:44].[H-:7].[Na+:6].[Na+:8].[OH2:40]>>[C:9]([CH3:10])([CH3:11])([CH3:12])[c:13]1[c:14]([OH:23])[c:15]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:16][c:17]([CH:31]2[CH2:30][C:29](=[O:34])[N:28]([CH2:24][CH2:25][CH2:26][CH3:27])[C:32]2=[O:33])[cH:18]1Participants
9
Sources & evidence
- ORD record
- ord-48fc3a8d60464180afb38e61379e3df0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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