Isopropanol → 3-[[1-(Benzenesulfonyl)-5-nitropyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexane-1-carbonitrile
Reaction equation
[CH3:41][CH:42]([OH:43])[CH3:44].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[NH2:23][CH:24]1[CH2:25][CH:26]([C:30]#[N:31])[CH2:27][CH2:28][CH2:29]1.[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[c:18]3[Cl:19])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[c:18]3[NH:23][CH:24]2[CH2:25][CH:26]([C:30]#[N:31])[CH2:27][CH2:28][CH2:29]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
5
Sources & evidence
- ORD record
- ord-114104619a8440a79c8f4473efeb01d9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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