Acetic Acid → HCID 15052381, compound
Reaction equation
[CH3:1][S:2][c:3]1[cH:4][c:5]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][OH:20])[cH:6][c:7]([S:10][CH3:11])[c:8]1[OH:9].[CH3:24][C:25](=[O:26])[OH:27].[CH:28]([Cl:29])([Cl:30])[Cl:31].[N+:21](=[N-:22])=[CH2:23]>>[CH3:1][S:2][c:3]1[cH:4][c:5]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][OH:20])[cH:6][c:7]([S:10][CH3:11])[c:8]1[O:9][CH3:23]Participants
5
Sources & evidence
- ORD record
- ord-dfe5e08ec1d9442a9fd401dcab28a547
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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