Acetic Acid → HCID 13180269, compound
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:19](=[O:20])[OH:21])[c:7]2[cH:8][cH:9][cH:10][c:11]([S:13](=[O:14])(=[O:15])[N:16]([CH3:17])[CH3:18])[c:12]12.[CH3:28][C:29](=[O:30])[OH:31].[OH2:27].[S:22]([Cl:23])(=[O:24])([Cl:25])=[O:26]>>[CH3:1][O:2][c:3]1[c:4]([Cl:25])[cH:5][c:6]([C:19](=[O:20])[OH:21])[c:7]2[cH:8][cH:9][cH:10][c:11]([S:13](=[O:14])(=[O:15])[N:16]([CH3:17])[CH3:18])[c:12]12Participants
5
Sources & evidence
- ORD record
- ord-d99f29a4f52d4626bdff1e869af0ec7c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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