Acetate → 3-methylthio-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one
Reaction equation
[C:24]([O-:25])(=[O:26])[CH3:27].[CH3:29][S-:30].[ClH:20].[NH2:7][c:8]1[cH:9][c:10]2[c:11]([cH:18][cH:19]1)[CH2:12][CH2:13][CH2:14][CH2:15][C:16]2=[O:17].[Na+:28].[Na+:31].[Na+:33].[Na+:5].[Na+:6].[OH-:32].[OH2:21].[OH2:22].[OH2:23].[OH2:34].[S:1]([O-:2])([O-:3])=[O:4]>>[c:8]1([S:30][CH3:29])[cH:9][c:10]2[c:11]([cH:18][cH:19]1)[CH2:12][CH2:13][CH2:14][CH2:15][C:16]2=[O:17]Participants
9
Sources & evidence
- ORD record
- ord-bc3aaac8de07469f943dae1409171303
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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