Acetonitrile → 4-[2-Methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-1,4-benzothiazin-3-one
Reaction equation
[CH2:17]([CH2:18][CH2:19][CH2:20][CH3:21])[CH:22]1[CH2:23][CH:24]2[CH2:25][CH2:26][CH:27]([CH2:28]1)[NH:29]2.[CH3:30][C:31]#[N:32].[I:1][CH2:2][CH:3]([CH2:4][N:5]1[C:6](=[O:15])[CH2:7][S:8][c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2)[CH3:16]>>[CH2:2]([CH:3]([CH2:4][N:5]1[C:6](=[O:15])[CH2:7][S:8][c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2)[CH3:16])[N:29]1[CH:24]2[CH2:23][CH:22]([CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[CH2:28][CH:27]1[CH2:26][CH2:25]2Participants
4
Sources & evidence
- ORD record
- ord-f646ad5e93c041388e8c24630e0fa0e0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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