Acetic Acid → HCID 18537632, compound
Reaction equation
[CH3:31][C:32](=[O:33])[OH:34].[Cl:1][CH2:2][c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([S:11][c:12]3[cH:13][c:14]([CH3:19])[cH:15][c:16]([CH3:18])[cH:17]3)[cH:9][cH:10]2)[n:20]1[CH3:21].[OH:27][N+:28]([O-:29])=[O:30].[S:22](=[O:23])(=[O:24])([OH:25])[OH:26]>>[Cl:1][CH2:2][c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([S:11][c:12]3[cH:13][c:14]([CH3:19])[c:15]([N+:28](=[O:27])[O-:29])[c:16]([CH3:18])[cH:17]3)[cH:9][cH:10]2)[n:20]1[CH3:21]Participants
5
Sources & evidence
- ORD record
- ord-aa68c66fddda4237927e70436710821c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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