2-[4-(4-Aminophenyl)piperidin-1-yl]ethan-1-ol → 2-[4-[4-[[7-(4-Methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanol
Reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]3[cH:15][n:16][c:17]([OH:20])[n:18][n:19]23)[cH:9][cH:10]1.[NH2:21][c:22]1[cH:23][cH:24][c:25]([CH:28]2[CH2:29][CH2:30][N:31]([CH2:34][CH2:35][OH:36])[CH2:32][CH2:33]2)[cH:26][cH:27]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]3[cH:15][n:16][c:17]([NH:21][c:22]4[cH:23][cH:24][c:25]([CH:28]5[CH2:29][CH2:30][N:31]([CH2:34][CH2:35][OH:36])[CH2:32][CH2:33]5)[cH:26][cH:27]4)[n:18][n:19]23)[cH:9][cH:10]1Participants
3
Sources & evidence
- ORD record
- ord-28596102e43c41228ac6c9d91de2c871
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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