Acetic Acid → HCID 178456812, compound
Reaction equation
[CH3:18][CH:19]([CH3:20])[NH2:21].[CH3:23][CH2:24][O-:25].[CH3:27][CH2:28][OH:29].[CH3:30][C:31](=[O:32])[OH:33].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:16][cH:17]1)[N:6]=[C:7]([O:13][CH2:14][CH3:15])[N:8]([CH3:12])[S:9]2(=[O:10])=[O:11].[Na+:22].[Na:26]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:16][cH:17]1)[N:6]=[C:7]([NH:21][CH:19]([CH3:18])[CH3:20])[N:8]([CH3:12])[S:9]2(=[O:10])=[O:11]Participants
8
Sources & evidence
- ORD record
- ord-388c6d6c751f49b49cc425606c5d9ac1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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