Isopropanol → 1-(benzenesulfonyl)-N-(1-benzyl-4-methylpiperidin-3-yl)-5-nitropyrrolo[2,3-b]pyridin-4-amine
Reaction equation
[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[N:30]1[CH2:31][CH:32]([NH2:37])[CH:33]([CH3:36])[CH2:34][CH2:35]1.[CH3:47][CH:48]([OH:49])[CH3:50].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[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:37][CH:32]2[CH2:31][N:30]([CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:35][CH2:34][CH:33]2[CH3:36])[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
5
Sources & evidence
- ORD record
- ord-237656b4d8224e818a21ad83885ba68e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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