Acetic Acid → HCID 20434024, compound
Reaction equation
[CH3:32][C:33](=[O:34])[OH:35].[Cl:6][c:7]1[cH:8][c:9]([CH2:10][N:11]2[C:12](=[O:26])[C:13]3([NH:14][C:15](=[O:19])[NH:16][C:17]3=[O:18])[c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]32)[cH:27][cH:28][c:29]1[Cl:30].[OH2:31].[S:1]([Cl:2])(=[O:3])([Cl:4])=[O:5]>>[Cl:4][c:22]1[cH:21][c:20]2[c:25]([cH:24][cH:23]1)[N:11]([CH2:10][c:9]1[cH:8][c:7]([Cl:6])[c:29]([Cl:30])[cH:28][cH:27]1)[C:12](=[O:26])[C:13]21[NH:14][C:15](=[O:19])[NH:16][C:17]1=[O:18]Participants
5
Sources & evidence
- ORD record
- ord-889e39216ce9498d8112a57d7011995d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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