Ethanol → 2-[2-(4-Cyclobutylpiperazin-1-yl)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]2[c:16]([cH:17][cH:18]1)[CH2:15][N:14]([CH2:19][C:20](=[O:21])[N:22]1[CH2:23][CH2:24][N:25]([CH:28]3[CH2:29][CH2:30][CH2:31]3)[CH2:26][CH2:27]1)[CH2:13][CH2:12]2.[CH3:32][CH2:33][OH:34]>>[OH:8][c:9]1[cH:10][c:11]2[c:16]([cH:17][cH:18]1)[CH2:15][N:14]([CH2:19][C:20](=[O:21])[N:22]1[CH2:23][CH2:24][N:25]([CH:28]3[CH2:29][CH2:30][CH2:31]3)[CH2:26][CH2:27]1)[CH2:13][CH2:12]2Participants
3
Sources & evidence
- ORD record
- ord-7c210ee04d374163aa170cf110a269d0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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