Ethanol → 5-(N,N-Dimethylthiocarbamoyl)thio-4-methyl-2-phenyl-4-isothiazolin-3-one
Reaction equation
[CH3:15][N:16]([C:17]([SH:18])=[S:19])[CH3:20].[CH3:24][CH2:25][OH:26].[Cl:1][c:2]1[c:3]([CH3:14])[c:4](=[O:13])[n:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[s:6]1.[I-:23].[Na+:22].[Na:21]>>[c:2]1([S:19][C:17]([N:16]([CH3:15])[CH3:20])=[S:18])[c:3]([CH3:14])[c:4](=[O:13])[n:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[s:6]1Participants
7
Sources & evidence
- ORD record
- ord-ffe24f66467947bea197d8199d2593b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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