Ethanol → 1-[4-(4-Cyclopentyloxybutyl)piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol
Reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][O:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11]1.[CH3:21][c:22]1[s:23][c:24]2[c:25]([n:26]1)[cH:27][c:28]([O:31][CH2:32][CH:33]([CH2:34][N:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1)[OH:41])[cH:29][cH:30]2.[CH3:42][CH2:43][OH:44].[CH:12]([N:13]([CH2:14][CH3:15])[CH:16]([CH3:17])[CH3:18])([CH3:19])[CH3:20]>>[CH2:2]([CH2:3][CH2:4][CH2:5][O:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11]1)[N:38]1[CH2:37][CH2:36][N:35]([CH2:34][CH:33]([CH2:32][O:31][c:28]2[cH:27][c:25]3[c:24]([s:23][c:22]([CH3:21])[n:26]3)[cH:30][cH:29]2)[OH:41])[CH2:40][CH2:39]1Participants
5
Sources & evidence
- ORD record
- ord-4868801d446e4caeb7e4a2218b518ee2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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