Carbon Disulfide → ethyl hexahydro-4-isothiocyanato-1H-azepine-1-carboxylate
Reaction equation
[NH2:4][CH:5]1[CH2:6][CH2:7][N:8]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[CH2:9][CH2:10][CH2:11]1.[O:17]1[CH2:18][CH2:19][CH2:20][CH2:21]1.[S:1]=[C:2]=[S:3]>>[C:2](=[S:3])=[N:4][CH:5]1[CH2:6][CH2:7][N:8]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[CH2:9][CH2:10][CH2:11]1Participants
4
Sources & evidence
- ORD record
- ord-a4bd562e2db44b179d7c986ad9e5c960
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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