Acetic Acid → HCID 59474741, compound
Reaction equation
[CH3:26][C:27](=[O:28])[OH:29].[Cl:3][c:4]1[cH:5][c:6]([CH2:7][NH:8][c:9]2[cH:10][c:11]([CH3:21])[n:12][c:13]3[c:14]([S:19][CH3:20])[cH:15][cH:16][cH:17][c:18]23)[cH:22][cH:23][c:24]1[Cl:25].[OH:1][OH:2]>>[O:1]=[S:19]([c:14]1[c:13]2[n:12][c:11]([CH3:21])[cH:10][c:9]([NH:8][CH2:7][c:6]3[cH:5][c:4]([Cl:3])[c:24]([Cl:25])[cH:23][cH:22]3)[c:18]2[cH:17][cH:16][cH:15]1)[CH3:20]Participants
4
Sources & evidence
- ORD record
- ord-2bdeeaae5ad544ac9638fa1ea69c653b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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