2-Butanamine, 3,3-dimethyl- → 2-Isopropylsulfonyl-3-(3-methoxyphenylamino)-3-(1,2,2-trimethylpropylamino)-2-propenenitrile
Reaction equation
[CH:1]([CH3:2])([CH3:3])[S:4](=[O:5])(=[O:6])[C:7]([C:8]#[N:9])=[C:10]([S:11][CH3:12])[NH:13][c:14]1[cH:15][c:16]([O:20][CH3:21])[cH:17][cH:18][cH:19]1.[NH2:22][CH:23]([CH3:24])[C:25]([CH3:26])([CH3:27])[CH3:28]>>[CH:1]([CH3:2])([CH3:3])[S:4](=[O:5])(=[O:6])[C:7]([C:8]#[N:9])=[C:10]([NH:13][c:14]1[cH:15][c:16]([O:20][CH3:21])[cH:17][cH:18][cH:19]1)[NH:22][CH:23]([CH3:24])[C:25]([CH3:26])([CH3:27])[CH3:28]Participants
3
Sources & evidence
- ORD record
- ord-fc409d178b1f4019bfb6a1b7ad42f4a9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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