Isopropanol → 3-[4-(1-benzenesulfonyl-5-nitro-1H-pyrrolo[2,3-b]pyridin-4-ylamino)-piperidin-1-yl]-propionitrile
Reaction equation
[CH3:43][CH:44]([OH:45])[CH3:46].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[NH2:23][CH:24]1[CH2:25][CH2:26][N:27]([CH2:30][CH2:31][C:32]#[N:33])[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][CH2:26][N:27]([CH2:30][CH2:31][C:32]#[N:33])[CH2:28][CH2:29]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-3efff13d5f494790abe84a2fb4a22b6d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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