Acetic Acid → HCID 20345011, compound
Reaction equation
[C:1]([O:2][OH:4])(=[O:3])[CH3:5].[CH3:28][C:29](=[O:30])[OH:31].[Cl:6][c:7]1[cH:8][c:9]2[c:10]([n:11][c:12]([S:14][CH3:15])[nH:13]2)[cH:16][c:17]1[O:18][c:19]1[c:20]([Cl:26])[cH:21][c:22]([Cl:25])[cH:23][cH:24]1.[OH2:27]>>[O:3]=[S:14]([c:12]1[n:11][c:10]2[c:9]([cH:8][c:7]([Cl:6])[c:17]([O:18][c:19]3[c:20]([Cl:26])[cH:21][c:22]([Cl:25])[cH:23][cH:24]3)[cH:16]2)[nH:13]1)([CH3:15])=[O:27]Participants
5
Sources & evidence
- ORD record
- ord-f85a91086fda4c9285d4d9d46dc10be8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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