1-(2-Hydroxyethyl)piperazine → 2-[4-({4-[4-[1-methyl-3-(4-nitrophenyl)-1H-pyrazol-4-yl]-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl}methyl)-1-piperazinyl]ethanol
Reaction equation
[CH3:1][n:2]1[n:3][c:4](-[c:33]2[cH:34][cH:35][c:36]([N+:39](=[O:40])[O-:41])[cH:37][cH:38]2)[c:5](-[c:7]2[c:8]3[c:9]([n:10][cH:11][cH:12]2)[n:13]([S:24](=[O:25])(=[O:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:14](-[c:16]2[cH:17][cH:18][c:19]([CH:20]=[O:21])[cH:22][cH:23]2)[cH:15]3)[cH:6]1.[N:42]1([CH2:48][CH2:49][OH:50])[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]1>>[CH3:1][n:2]1[n:3][c:4](-[c:33]2[cH:34][cH:35][c:36]([N+:39](=[O:40])[O-:41])[cH:37][cH:38]2)[c:5](-[c:7]2[c:8]3[c:9]([n:10][cH:11][cH:12]2)[n:13]([S:24](=[O:25])(=[O:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:14](-[c:16]2[cH:17][cH:18][c:19]([CH2:20][N:45]4[CH2:44][CH2:43][N:42]([CH2:48][CH2:49][OH:50])[CH2:47][CH2:46]4)[cH:22][cH:23]2)[cH:15]3)[cH:6]1Participants
3
Sources & evidence
- ORD record
- ord-ad487a418afb45398769ae9ef3377972
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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