Acetonitrile → Dimethyl-sulfamic acid 5-tert-butyl-2-methyl-4-thiocyanato-phenyl ester
Reaction equation
[C:16](=[O:17])([O-:18])[O-:19].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([S:13][C:14]#[N:15])[cH:7][c:8]([CH3:12])[c:9]([OH:11])[cH:10]1.[CH3:22][N:23]([S:24](=[O:25])(=[O:26])[Cl:27])[CH3:28].[CH3:29][C:30]#[N:31].[Cs+:20].[Cs+:21]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([S:13][C:14]#[N:15])[cH:7][c:8]([CH3:12])[c:9]([O:11][S:24]([N:23]([CH3:22])[CH3:28])(=[O:25])=[O:26])[cH:10]1Participants
6
Sources & evidence
- ORD record
- ord-8544a6c1fea64fdf99e5632ffe4f4930
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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