Chloride → 5-tert-Butyl-2-[(2-ethylhexyl)sulfanyl]aniline
Reaction equation
[C:8]([CH3:9])([CH3:10])([CH3:11])[c:12]1[cH:13][cH:14][c:15]([S:21][CH2:22][CH:23]([CH2:24][CH2:25][CH2:26][CH3:27])[CH2:28][CH3:29])[c:16]([N+:18]([O-:19])=[O:20])[cH:17]1.[CH3:33][CH:34]([OH:35])[CH3:36].[Cl-:7].[NH2:31][NH2:32].[OH2:1].[OH2:2].[OH2:30].[OH2:3].[OH2:4].[OH2:5].[OH2:6]>>[C:8]([CH3:9])([CH3:10])([CH3:11])[c:12]1[cH:13][cH:14][c:15]([S:21][CH2:22][CH:23]([CH2:24][CH2:25][CH2:26][CH3:27])[CH2:28][CH3:29])[c:16]([NH2:18])[cH:17]1Participants
6
Sources & evidence
- ORD record
- ord-218a538becdf4ea59e0081f70e619a76
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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