Hydrochloric Acid → 4-Chloro-3-ethylthio-2-methylbenzoic acid
Reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:23][C:24]#[N:25].[Cl:7][c:8]1[c:9]([SH:18])[c:10]([CH3:17])[c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16]1.[ClH:22].[Cs+:5].[Cs+:6].[I:19][CH2:20][CH3:21].[OH2:26]>>[Cl:7][c:8]1[c:9]([S:18][CH2:20][CH3:21])[c:10]([CH3:17])[c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16]1Participants
8
Sources & evidence
- ORD record
- ord-7393ee0dcc77457f9f60d12ceafe6d27
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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