Acetic Acid → HCID 57054872, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][c:7]([Cl:13])[c:8]([NH2:12])[c:9]([Cl:11])[cH:10]1)=[O:14].[CH3:15][S:16](=[O:17])(=[O:18])[OH:19].[CH3:20][CH:21]([CH2:22][CH2:23][O:24][N:25]=[O:26])[CH3:27].[CH3:33][C:34](=[O:35])[OH:36].[Cl:37][CH2:38][Cl:39].[SH:28][CH2:29][C:30](=[O:31])[OH:32]>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][c:7]([Cl:13])[c:8]([S:28][CH2:29][C:30](=[O:31])[OH:32])[c:9]([Cl:11])[cH:10]1)=[O:14]Participants
7
Sources & evidence
- ORD record
- ord-02506b84e5ac4ba0b5cbe1bad361b978
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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