Acetic Acid → HCID 13116412, compound
Reaction equation
[CH3:22][CH2:23][OH:24].[CH3:26][C:27](=[O:28])[OH:29].[Cl:1][c:2]1[c:3]2[c:4](=[O:21])[c:5]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[c:6]3[n:7]([c:8]2[cH:9][cH:10][c:11]1[Cl:12])[CH2:13][CH2:14][S:15]3.[Na+:31].[OH-:30].[OH2:25]>>[Cl:1][c:2]1[c:3]2[c:4](=[O:21])[c:5]([C:16](=[O:17])[OH:18])[c:6]3[n:7]([c:8]2[cH:9][cH:10][c:11]1[Cl:12])[CH2:13][CH2:14][S:15]3Participants
7
Sources & evidence
- ORD record
- ord-14fc87e91a8e4797b99874935eafdbbc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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