Tert-Butylbenzene → 1-[(4-Tert-butylphenyl)methyl]-3-[2-[2-(methanesulfonamido)phenyl]ethyl]thiourea
Reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[c:7]([CH2:8][CH2:9][NH2:10])[cH:11][cH:12][cH:13][cH:14]1.[CH3:28][CH2:29][O:30][C:31](=[O:32])[CH3:33].[N-:15]=[C:16]=[S:17]>>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[c:7]([CH2:8][CH2:9][NH:10][C:16]([NH:15][CH2:28][c:25]2[cH:24][cH:23][c:22]([C:18]([CH3:19])([CH3:20])[CH3:21])[cH:27][cH:26]2)=[S:17])[cH:11][cH:12][cH:13][cH:14]1Participants
5
Sources & evidence
- ORD record
- ord-b254ff0e833543f6a0189cdd7c0eb3a3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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