Ethanol → 10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-thiol
Reaction equation
[CH3:28][CH2:29][OH:30].[Cl:1][CH:2]1[c:3]2[c:4]([cH:13][cH:14][cH:15][cH:16]2)[CH2:5][CH2:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2.[NH2:17][C:18]([NH2:19])=[S:20].[Na+:22].[OH-:21].[S:23](=[O:24])(=[O:25])([OH:26])[OH:27]>>[CH:2]1([SH:20])[c:3]2[c:4]([cH:13][cH:14][cH:15][cH:16]2)[CH2:5][CH2:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2Participants
7
Sources & evidence
- ORD record
- ord-57b67403f5814959ab4d87b69b6206de
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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